Geometry & MOs

Info

ID:	155091
PubChem CID:	56320676
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	449.04879
ΔH_f, kcal/mol:	-52.07
Dipole, Da:	6.75
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-4,5-dimethoxyphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2OC)N3C=CC=C3)Cl

DOS

IR

Vibrations