Geometry & MOs

Info

ID:	270463
PubChem CID:	103636698
Reduced:	O3N5C15H25 (1)
Stoich.:	A3B5C15D25 (1)
Weight, g/mol:	309.18009
ΔH_f, kcal/mol:	-105.0
Dipole, Da:	2.04
IP(EA), eV:	-9.25(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(N=N2)C(=O)N(C)C

DOS

IR

Vibrations