Geometry & MOs

Info

ID:	163162
PubChem CID:	57646657
Reduced:	FO4H11C17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	408.12224
ΔH_f, kcal/mol:	-149.58
Dipole, Da:	8.48
IP(EA), eV:	-9.8(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(E)-(2-amino-7-cyano-3-isocyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=CC3=C(C=C2)OC=C(C3=O)C(=O)O)F

DOS

IR

Vibrations