Geometry & MOs

Info

ID:	344244
PubChem CID:	127267420
Reduced:	FN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	1.65
IP(EA), eV:	-9.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-(1-prop-2-enoylpiperidin-3-yl)triazol-4-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C=CC(=O)NCC1=NC2=C(O1)C=CC(=C2)F

DOS

IR

Vibrations