Geometry & MOs

Info

ID:	121810
PubChem CID:	50782134
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-135.17
Dipole, Da:	2.24
IP(EA), eV:	-8.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopentanecarbonylamino)-5-(4-methylpiperazin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=C(C=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations