Geometry & MOs

Info

ID:	403621
PubChem CID:	135061068
Reduced:	SN2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	250.146999
ΔH_f, kcal/mol:	82.35
Dipole, Da:	4.24
IP(EA), eV:	-8.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-2-phenyl-1H-pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CCCCC1=C(N(C2=C1C=CN=C2)CC3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations