Geometry & MOs

Info

ID:	426961
PubChem CID:	135154726
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	269.080041
ΔH_f, kcal/mol:	-60.82
Dipole, Da:	1.88
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-5-nitrophenyl)-1H-pyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(C2)C(=O)CN(C)C)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations