Geometry & MOs

Info

ID:	252566
PubChem CID:	103112341
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-107.36
Dipole, Da:	1.84
IP(EA), eV:	-10.31(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-[4-(methylamino)-4-oxobutyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C(C)C(=O)N)C(=O)OC(C)(C)C

DOS

IR

Vibrations