Geometry & MOs

Info

ID:	203132
PubChem CID:	79783081
Reduced:	OCl3N4H7C13 (1)
Stoich.:	AB3C4D7E13 (1)
Weight, g/mol:	410.98869
ΔH_f, kcal/mol:	63.22
Dipole, Da:	3.65
IP(EA), eV:	-9.08(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-7-iodo-4,5-dihydro-3H-1-benzazepin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)N)C2=NC(=NO2)C3=C(C=C(C=N3)Cl)Cl

DOS

IR

Vibrations