Geometry & MOs

Info

ID:

164449

PubChem CID:

74401727

Reduced:

O5N9C52H71 (1)

Stoich.:

A5B9C52D71 (1)

Weight, g/mol:

375.191992

ΔHf, kcal/mol:

-190.01

Dipole, Da:

5.1

IP(EA), eV:

 -8.69(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-pyridin-3-ylpiperazine-1-carboximidamide

Drug info:

PubChemData

Smile

CCCCC(CN(C(CCCCN(C)C(=O)NC1=CC=CC=C1)CNC(=O)NC(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)N(CCCCC4CCCCC4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations