Geometry & MOs

Info

ID:	403807
PubChem CID:	135061937
Reduced:	N2C25H26 (1)
Stoich.:	A2B25C26 (1)
Weight, g/mol:	408.181333
ΔH_f, kcal/mol:	65.45
Dipole, Da:	5.08
IP(EA), eV:	-8.38(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=C(C2=C(N1CC3=CC=CC=C3)C=NC=C2)C4=CC=CC(=C4)C

DOS

IR

Vibrations