Geometry & MOs

Info

ID:	182547
PubChem CID:	76903785
Reduced:	ClNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	301.086956
ΔH_f, kcal/mol:	-29.05
Dipole, Da:	7.07
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-chlorophenyl)methyl-methylamino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)Cl)C2=CC=CC=C2C=CC(=O)O

DOS

IR

Vibrations