Geometry & MOs

Info

ID:	216816
PubChem CID:	85086821
Reduced:	ClON4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	304.134241
ΔH_f, kcal/mol:	6.25
Dipole, Da:	7.59
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorobut-2-enyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-9-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=CC#N)NC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations