Geometry & MOs

Info

ID:	164782
PubChem CID:	74451823
Reduced:	N3O3C21H32 (1)
Stoich.:	A3B3C21D32 (1)
Weight, g/mol:	384.265102
ΔH_f, kcal/mol:	-104.19
Dipole, Da:	9.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752745
Charge, e:	1

Chem-info

IUPAC name:

2-oxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

DOS

IR

Vibrations