Geometry & MOs

Info

ID:	182729
PubChem CID:	76931592
Reduced:	ClFNO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	2.27
IP(EA), eV:	-9.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)prop-2-enoyl-(2-methylpropyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)O)C(=O)C=CC1=C(C=CC=C1Cl)F

DOS

IR

Vibrations