Geometry & MOs

Info

ID:	422059
PubChem CID:	135117112
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-76.78
Dipole, Da:	6.2
IP(EA), eV:	-8.29(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-cyclopropyl-4-hydroxy-3-methoxy-N-(naphthalen-1-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=NC=C1)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations