Geometry & MOs

Info

ID:	280958
PubChem CID:	103852175
Reduced:	ClN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	341.02766
ΔH_f, kcal/mol:	-9.43
Dipole, Da:	6.15
IP(EA), eV:	-9.74(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-3-methylphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CCN(CC1)C(=O)C2=CC(=NC=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations