Geometry & MOs

Info

ID:	273442
PubChem CID:	103771130
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-134.08
Dipole, Da:	2.27
IP(EA), eV:	-9.62(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN=C1C)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations