Geometry & MOs

Info

ID:	182545
PubChem CID:	76903783
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	301.086956
ΔH_f, kcal/mol:	2.8
Dipole, Da:	1.94
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=NO)N)N(C)CC1=CC=CC=C1Cl

DOS

IR

Vibrations