Geometry & MOs

Info

ID:	166304
PubChem CID:	74667470
Reduced:	N2O5H11C19 (1)
Stoich.:	A2B5C11D19 (1)
Weight, g/mol:	368.073439
ΔH_f, kcal/mol:	-18.83
Dipole, Da:	5.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.263678
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-(difluoromethoxy)phenyl]-2-oxo-3-quinolin-2-ylbut-3-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C(=O)[O-]

DOS

IR

Vibrations