Geometry & MOs

Info

ID:	444712
PubChem CID:	135263300
Reduced:	IN2O5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-160.05
Dipole, Da:	2.73
IP(EA), eV:	-8.78(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-acetylpiperazin-1-yl)-2-methylphenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)CC(COC(=O)N)OCCOCCNC(=O)CI

DOS

IR

Vibrations