Geometry & MOs

Info

ID:	273314
PubChem CID:	103770890
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	315.079284
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	2.21
IP(EA), eV:	-9.86(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CN1C=CC=N1)O

DOS

IR

Vibrations