Geometry & MOs

Info

ID:	273527
PubChem CID:	103771310
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	315.079284
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	1.67
IP(EA), eV:	-9.38(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NCC(CC(C)C)O

DOS

IR

Vibrations