Geometry & MOs

Info

ID:	195951
PubChem CID:	78753481
Reduced:	FN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-62.13
Dipole, Da:	25.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.816439
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C=CC3=CC(=CC(=C3)OC)OC)F

DOS

IR

Vibrations