Geometry & MOs

Info

ID:	320603
PubChem CID:	126661986
Reduced:	N3O6C21H31 (1)
Stoich.:	A3B6C21D31 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	-180.27
Dipole, Da:	5.47
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(2-hydroxyethyl)-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1CCCN(C1)C2=CC(=CC=CC2[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations