Geometry & MOs

Info

ID:	438166
PubChem CID:	135227794
Reduced:	NOSCl2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	385.07897
ΔH_f, kcal/mol:	2.38
Dipole, Da:	3.56
IP(EA), eV:	-8.37(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-methyl-1-[oxan-4-yl(phenyl)methyl]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)N=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations