Geometry & MOs

Info

ID:	438233
PubChem CID:	135227927
Reduced:	BrN2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	389.196408
ΔH_f, kcal/mol:	46.08
Dipole, Da:	6.35
IP(EA), eV:	-8.82(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(pyridin-2-yl)methyl]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)Br)N=CN2C(C3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations