Geometry & MOs

Info

ID:	438250
PubChem CID:	135227977
Reduced:	BrNC11H14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	13.87
Dipole, Da:	2.39
IP(EA), eV:	-8.68(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyltriazol-4-yl)-4,5-di(propan-2-yl)pyridine

Drug info:

PubChemData

Smile

CCC=NC1=C(C=C(C=C1Br)C)C

DOS

IR

Vibrations