Geometry & MOs

Info

ID:	205406
PubChem CID:	80095778
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	298.149284
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	5.93
IP(EA), eV:	-9.41(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)NCC(COC1=C(C=C(C=C1)C#N)[N+](=O)[O-])O

DOS

IR

Vibrations