Geometry & MOs

Info

ID:	344251
PubChem CID:	127267427
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-8.26
Dipole, Da:	1.76
IP(EA), eV:	-9.45(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-[(prop-2-enoylamino)methyl]triazol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C=CC(=O)NC(CC1=CC=CC=C1)C2=NC=CO2

DOS

IR

Vibrations