Geometry & MOs

Info

ID:	196023
PubChem CID:	78767287
Reduced:	NCl2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	361.225308
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	4.44
IP(EA), eV:	-9.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butoxy-3-ethoxyphenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)COC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations