Geometry & MOs

Info

ID:	235351
PubChem CID:	92309568
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	6.12
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S,11aR)-N-cycloheptyl-6-oxo-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine-11-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)[C@@H]2[C@@H]3CCCCN3C(=O)C4=CC=CC=C24

DOS

IR

Vibrations