Geometry & MOs

Info

ID:	53120
PubChem CID:	14709618
Reduced:	NCl2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	305.037419
ΔH_f, kcal/mol:	-66.4
Dipole, Da:	2.42
IP(EA), eV:	-9.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-3-benzazepin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C(=O)NCCC2=CC=C(C=C2)Cl)O)Cl

DOS

IR

Vibrations