Geometry & MOs

Info

ID:	121816
PubChem CID:	50782442
Reduced:	N2O3C12H15 (2)
Stoich.:	A2B3C12D15 (2)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-196.4
Dipole, Da:	1.15
IP(EA), eV:	-8.98(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-5-(4-cyclohexylpiperazin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

COCCNC(=O)CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)COC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations