Geometry & MOs

Info

ID:	149835
PubChem CID:	53789513
Reduced:	FON5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	314.053886
ΔH_f, kcal/mol:	30.24
Dipole, Da:	3.26
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(3-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1COCCN1CCNN2C(=C(C=N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations