Geometry & MOs

Info

ID:	124482
PubChem CID:	50884866
Reduced:	ClO6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	382.072035
ΔH_f, kcal/mol:	-227.12
Dipole, Da:	3.57
IP(EA), eV:	-8.84(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[5-(4-acetylphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)OC(OC2=O)(C)C)Cl)OC

DOS

IR

Vibrations