Geometry & MOs

Info

ID:	276818
PubChem CID:	103825398
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-140.85
Dipole, Da:	0.99
IP(EA), eV:	-9.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations