Geometry & MOs

Info

ID:	121802
PubChem CID:	50781949
Reduced:	ClN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	6.47
IP(EA), eV:	-8.56(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylbenzoyl)amino]-5-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl)C(=O)O

DOS

IR

Vibrations