Geometry & MOs

Info

ID:	217032
PubChem CID:	85087142
Reduced:	ClNO5C15H16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	325.086956
ΔH_f, kcal/mol:	-177.73
Dipole, Da:	1.69
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC(=C1O)C(=O)C=C(N2CCOCC2)Cl

DOS

IR

Vibrations