Geometry & MOs

Info

ID:	149273
PubChem CID:	53788945
Reduced:	NO3C4H7 (1)
Stoich.:	AB3C4D7 (1)
Weight, g/mol:	333.209264
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	4.12
IP(EA), eV:	-10.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-heptylphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC=CCO[N+](=O)[O-]

DOS

IR

Vibrations