Geometry & MOs

Info

ID:

448771

PubChem CID:

135293498

Reduced:

PO3H41C42 (1)

Stoich.:

AB3C41D42 (1)

Weight, g/mol:

401.207642

ΔHf, kcal/mol:

-40.79

Dipole, Da:

3.55

IP(EA), eV:

 -8.7(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(E)-3-amino-2-[1-[6-(1,4-diazepan-1-yl)pyridin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]prop-2-enylidene]amino]acetonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CCC1)C2=CC=C(C=C2)OP(OC3=CC=C(C=C3)C(C)C4=CC=CC=C4)OC5=CC=C(C=C5)C(C)C6=CC=CC=C6

DOS

IR

Vibrations