Geometry & MOs

Info

ID:	73781
PubChem CID:	48420418
Reduced:	O4N5H21C22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	4.59
IP(EA), eV:	-8.95(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCCN3C=NC=N3)C4=CC=CC=C4)OC

DOS

IR

Vibrations