Geometry & MOs

Info

ID:	403620
PubChem CID:	135061067
Reduced:	N3C23H23 (1)
Stoich.:	A3B23C23 (1)
Weight, g/mol:	346.15037
ΔH_f, kcal/mol:	85.26
Dipole, Da:	6.38
IP(EA), eV:	-8.58(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-butyl-2-thiophen-2-ylpyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations