Geometry & MOs

Info

ID:	436945
PubChem CID:	135213201
Reduced:	ON2C31H52 (1)
Stoich.:	AB2C31D52 (1)
Weight, g/mol:	500.10731
ΔH_f, kcal/mol:	175.93
Dipole, Da:	4.71
IP(EA), eV:	-8.31(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-[4-iodobutyl(methyl)amino]-1H-pyrrolo[3,2-b]pyridin-6-yl]cyclodecapentaenecarboxamide

Drug info:

PubChemData

Smile

CCCC1=C(C(=CN=C1CC)NC(=O)C2CCCCCCCCC2)C3CCCCCCCCC3

DOS

IR

Vibrations