Geometry & MOs

Info

ID:	341065
PubChem CID:	127263500
Reduced:	FNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	-157.58
Dipole, Da:	4.37
IP(EA), eV:	-9.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(1-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](CN(C[C@H]1F)C=O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations