Geometry & MOs

Info

ID:	254434
PubChem CID:	103125250
Reduced:	O2N3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	310.164105
ΔH_f, kcal/mol:	-79.86
Dipole, Da:	2.71
IP(EA), eV:	-9.01(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(5-methoxycarbonyl-2H-triazol-4-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C=CNC1=O

DOS

IR

Vibrations