Geometry & MOs

Info

ID:	182823
PubChem CID:	76941285
Reduced:	O3N5C10H14 (1)
Stoich.:	A3B5C10D14 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789185
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CNCCOC1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C

DOS

IR

Vibrations