Geometry & MOs

Info

ID:	132888
PubChem CID:	51440246
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	372.148535
ΔH_f, kcal/mol:	-101.15
Dipole, Da:	11.41
IP(EA), eV:	-9.28(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCC12C[NH+](C[C@@H]2C(=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations