Geometry & MOs

Info

ID:	177866
PubChem CID:	76246227
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-62.34
Dipole, Da:	3.7
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-3-(3-methoxyphenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCC1CC(NN1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations