Geometry & MOs

Info

ID:	413310
PubChem CID:	135086258
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	2.92
IP(EA), eV:	-10.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-benzyl-2,4,4-trimethylpent-2-enamide

Drug info:

PubChemData

Smile

CCCC=C(C(=O)OC)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations