Geometry & MOs

Info

ID:	187389
PubChem CID:	77568277
Reduced:	O9C11H18 (1)
Stoich.:	A9B11C18 (1)
Weight, g/mol:	299.108148
ΔH_f, kcal/mol:	-422.31
Dipole, Da:	2.7
IP(EA), eV:	-11.04(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-difluorophenyl)carbamoyl]-2-methylpiperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1C(C(C(O1)O)O)C(CCC(=O)O)C(=O)O)(O)O

DOS

IR

Vibrations