Geometry & MOs

Info

ID:	226587
PubChem CID:	87544252
Reduced:	O3N5C8H9 (1)
Stoich.:	A3B5C8D9 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	79.53
Dipole, Da:	6.78
IP(EA), eV:	-10.02(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])C(CN)N

DOS

IR

Vibrations