Geometry & MOs

Info

ID:	169416
PubChem CID:	75102075
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	417.25469
ΔH_f, kcal/mol:	-81.26
Dipole, Da:	1.46
IP(EA), eV:	-8.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chlorophenyl)methyl]-N-methyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethylamino]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC1CC(N(C1)CC2=CC=CC=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations