Geometry & MOs

Info

ID:	121812
PubChem CID:	50782380
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	4.31
IP(EA), eV:	-8.34(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-5-[4-(3-methoxyphenyl)piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C3=CC(=C(C=C3)NC(=O)C4CCC4)C(=O)O

DOS

IR

Vibrations