Geometry & MOs

Info

ID:	360358
PubChem CID:	127301001
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	3.25
IP(EA), eV:	-8.38(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzo[e]indol-2-yl-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3=CC=CC4=C3NC(=C4C)C

DOS

IR

Vibrations