Geometry & MOs

Info

ID:	163163
PubChem CID:	57646663
Reduced:	O3N4H16C24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	442.083268
ΔH_f, kcal/mol:	70.43
Dipole, Da:	5.52
IP(EA), eV:	-9.02(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC\1=C(C2=NC(=C(C(=C2/C1=C/C3=CC=C(O3)C4=CC=CC=C4C(=O)O)C)[N+]#[C-])N)C#N

DOS

IR

Vibrations