Geometry & MOs

Info

ID:	252655
PubChem CID:	103113020
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-15.99
Dipole, Da:	5.6
IP(EA), eV:	-10.35(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 5-methyl-1-pentan-3-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CN=CC=C2)C(=O)OCC(C)C

DOS

IR

Vibrations