Geometry & MOs

Info

ID:	159760
PubChem CID:	57288721
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-88.94
Dipole, Da:	1.95
IP(EA), eV:	-8.99(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[[methyl(pentanoyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1O)C=C2C3=C(C=CC(=C3)CCCl)NC2=O)O

DOS

IR

Vibrations