Geometry & MOs

Info

ID:	270462
PubChem CID:	103636697
Reduced:	FN3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	323.19574
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	6.49
IP(EA), eV:	-9.39(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-(dimethylcarbamoyl)triazol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C1CCCC1)C(=O)C2=C(C(=CC(=C2)F)[N+](=O)[O-])N

DOS

IR

Vibrations