Geometry & MOs

Info

ID:	403806
PubChem CID:	135061936
Reduced:	FON4H17C24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	354.209599
ΔH_f, kcal/mol:	45.91
Dipole, Da:	5.04
IP(EA), eV:	-8.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-butyl-3-(3-methylphenyl)pyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC(=NC3=C2C(=C(N3)C4=CC=C(C=C4)F)C5=CC=NC=C5)N

DOS

IR

Vibrations