Geometry & MOs

Info

ID:	272678
PubChem CID:	103751075
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	2.98
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NC(CCO)C(C)C

DOS

IR

Vibrations