Geometry & MOs

Info

ID:	395915
PubChem CID:	135026885
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	3.48
IP(EA), eV:	-9.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methoxy-N-phenylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H]([C@@H](C[N+](=O)[O-])C1=CC=CC=C1)N=CC2=CC=CC=C2

DOS

IR

Vibrations