Geometry & MOs

Info

ID:	271749
PubChem CID:	103690690
Reduced:	ClNSO2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-98.25
Dipole, Da:	6.56
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(3-hydroxycyclohexyl)methyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)CSC2=CC=CC=C2Cl

DOS

IR

Vibrations