Geometry & MOs

Info

ID:	139502
PubChem CID:	52543915
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-76.45
Dipole, Da:	5.17
IP(EA), eV:	-10.41(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations