Geometry & MOs

Info

ID:	403701
PubChem CID:	135061465
Reduced:	FO3H21C26 (1)
Stoich.:	AB3C21D26 (1)
Weight, g/mol:	354.209599
ΔH_f, kcal/mol:	-82.98
Dipole, Da:	4.16
IP(EA), eV:	-8.36(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(C2)C3=C(CC4=C3C=CC(=C4)OC)C5=CC=CC=C5F

DOS

IR

Vibrations