Geometry & MOs

Info

ID:	122444
PubChem CID:	50807131
Reduced:	ClO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	469.21322
ΔH_f, kcal/mol:	-67.35
Dipole, Da:	7.45
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorobenzoyl)amino]-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCCN(C)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)O

DOS

IR

Vibrations