Geometry & MOs

Info

ID:	448998
PubChem CID:	135295074
Reduced:	N3O4C25H27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	397.215413
ΔH_f, kcal/mol:	-57.2
Dipole, Da:	5.37
IP(EA), eV:	-8.28(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-methyl-3-[3-(4-methylcyclohexa-2,4-dien-1-yl)-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]penta-2,4-dien-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CNC3C(=C2)N(C=C3C4=CC=C(C=C4)C(=O)O)CC5CCOCC5

DOS

IR

Vibrations