Geometry & MOs

Info

ID:	127431
PubChem CID:	51002166
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	355.132077
ΔH_f, kcal/mol:	-129.96
Dipole, Da:	6.18
IP(EA), eV:	-8.26(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-5-hydroxy-7-oxo-6-phenyl-4H-pyrrolo[3,2-b]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)N(C)C)C3CN(CCO3)CCC(=O)O

DOS

IR

Vibrations