Geometry & MOs

Info

ID:	73834
PubChem CID:	48420651
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	370.142976
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	3.84
IP(EA), eV:	-9.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 1-(4-methylphenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations