Geometry & MOs

Info

ID:	273593
PubChem CID:	103771434
Reduced:	N2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	295.133907
ΔH_f, kcal/mol:	-178.82
Dipole, Da:	3.76
IP(EA), eV:	-9.4(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4-methylphenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1CCN(CC1)C(=O)C)O

DOS

IR

Vibrations