Geometry & MOs

Info

ID:	271073
PubChem CID:	103642756
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	301.067426
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	2.26
IP(EA), eV:	-9.69(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)NC(=O)CN2C=C(N=N2)C(=O)OC

DOS

IR

Vibrations