Geometry & MOs

Info

ID:	206345
PubChem CID:	80234909
Reduced:	FON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-67.34
Dipole, Da:	4.73
IP(EA), eV:	-8.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1C2=C(C=C(C=C2)F)CNC)C)C

DOS

IR

Vibrations