Geometry & MOs

Info

ID:	199752
PubChem CID:	79292187
Reduced:	ClN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	309.023581
ΔH_f, kcal/mol:	63.28
Dipole, Da:	6.28
IP(EA), eV:	-9.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)N2C3=C(C=NC=C3)N=C2CCl

DOS

IR

Vibrations