Geometry & MOs

Info

ID:	441930
PubChem CID:	135246751
Reduced:	BrN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	365.113982
ΔH_f, kcal/mol:	4.61
Dipole, Da:	3.48
IP(EA), eV:	-8.37(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]quinoxaline

Drug info:

PubChemData

Smile

C/C(=C(\C=C/NC)/OC)/C1=C(N=CC=C1)OC2=CC=C(C=C2)Br

DOS

IR

Vibrations