Geometry & MOs

Info

ID:	273383
PubChem CID:	103770997
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-130.09
Dipole, Da:	4.88
IP(EA), eV:	-9.55(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations