Geometry & MOs

Info

ID:	73779
PubChem CID:	48420414
Reduced:	N5O5H19C20 (1)
Stoich.:	A5B5C19D20 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	-14.46
Dipole, Da:	5.09
IP(EA), eV:	-8.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCN3C=NC=N3)[N+](=O)[O-]

DOS

IR

Vibrations