Geometry & MOs

Info

ID:	252514
PubChem CID:	103111895
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	5.87
IP(EA), eV:	-9.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=C(N=N2)C(=O)OCCOC)C

DOS

IR

Vibrations