Geometry & MOs

Info

ID:	21117
PubChem CID:	587278
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	329.081871
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	5.1
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC2=C(CCCC2=NOC(=O)C3=CC=CC=C3Cl)C=C1O

DOS

IR

Vibrations