Geometry & MOs

Info

ID:	449003
PubChem CID:	135295111
Reduced:	NPC32H42 (1)
Stoich.:	ABC32D42 (1)
Weight, g/mol:	431.04946
ΔH_f, kcal/mol:	44.58
Dipole, Da:	2.92
IP(EA), eV:	-7.84(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-amino-3-(1-benzyl-3-iodopyrrolo[3,2-b]pyridin-6-yl)pent-3-en-2-one

Drug info:

PubChemData

Smile

CCC1=C(C(=C(P1)C)C(=C)/C=C(/C)\C/C(=C\C(C)CC2=CC=CCCN2)/C3=CC=C(C=C3)C)C

DOS

IR

Vibrations