Geometry & MOs

Info

ID:	17216
PubChem CID:	488818
Reduced:	N4H20C21 (1)
Stoich.:	A4B20C21 (1)
Weight, g/mol:	328.168797
ΔH_f, kcal/mol:	110.26
Dipole, Da:	2.51
IP(EA), eV:	-9.04(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-3-(2-phenylethyl)quinoxaline

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2CCC4=CC=CC=C4)C

DOS

IR

Vibrations