Geometry & MOs

Info

ID:	73750
PubChem CID:	48420303
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	418.138953
ΔH_f, kcal/mol:	-46.5
Dipole, Da:	9.8
IP(EA), eV:	-9.17(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)OCCN2C=NC=N2

DOS

IR

Vibrations