Geometry & MOs

Info

ID:	195953
PubChem CID:	78753679
Reduced:	N2O6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-108.66
Dipole, Da:	3.71
IP(EA), eV:	-8.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxyphenyl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)C(=CC1=CC(=C(C=C1)N(C)C2=CC=CC=C2)[N+](=O)[O-])C(=O)OCCOC

DOS

IR

Vibrations