Geometry & MOs

Info

ID:	172938
PubChem CID:	75574386
Reduced:	NOC4H4 (4)
Stoich.:	ABC4D4 (4)
Weight, g/mol:	473.99409
ΔH_f, kcal/mol:	-78.72
Dipole, Da:	10.62
IP(EA), eV:	-9.13(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[4-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)NN=C2C(=C(C(=O)N(C2=O)CCO)C#N)C

DOS

IR

Vibrations