Geometry & MOs

Info

ID:	188248
PubChem CID:	77688149
Reduced:	ClFO2N4H20C21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	345.111341
ΔH_f, kcal/mol:	-47.93
Dipole, Da:	6.35
IP(EA), eV:	-8.19(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(1,7a-dihydroimidazo[4,5-c]pyridin-2-ylidene)-6-oxocyclohexa-1,3-dien-1-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)N(C)C1C=CC(=C2C=C(C=CC2=O)NC3=C(C=C(C=C3)Cl)CF)N=C1N

DOS

IR

Vibrations