Geometry & MOs

Info

ID:	136461
PubChem CID:	52046005
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-15.35
Dipole, Da:	5.49
IP(EA), eV:	-9.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 1-[(3,4-dimethylphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2C=C(N=N2)C(=O)OC)C

DOS

IR

Vibrations