Geometry & MOs

Info

ID:	415292
PubChem CID:	135088284
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	337.144471
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	3.04
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)C(C)NC(=O)C2=CC(=C(C=C2)OCC)OCC

DOS

IR

Vibrations