Geometry & MOs

Info

ID:

320215

PubChem CID:

126658743

Reduced:

SN3O9C48H55 (1)

Stoich.:

AB3C9D48E55 (1)

Weight, g/mol:

462.249172

ΔHf, kcal/mol:

-244.29

Dipole, Da:

1.05

IP(EA), eV:

 -8.59(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(aminomethyl)azetidin-1-yl]-[4-[[[6-[2-(cyclopropylmethylamino)pyridin-4-yl]pyridin-2-yl]-hydroxymethyl]amino]-1-methylpyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CCC#CCCCCCCN(C1=NC2=CC=CC=C2S1)/N=C/C3=C(C=CC(=C3)OC=O)OC(=O)C4CCC(CC4)C(=O)OC5=CC=C(C=C5)OCCCCCCOC(=O)C=C

DOS

IR

Vibrations