Geometry & MOs

Info

ID:	10824
PubChem CID:	108304
Reduced:	OCl2N2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	346.063968
ΔH_f, kcal/mol:	55.32
Dipole, Da:	4.87
IP(EA), eV:	-9.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dichlorophenyl)-1,2,7,11b-tetrahydro-[1,3]diazepino[2,1-a]isoindol-5-ol

Drug info:

PubChemData

Smile

C1C=CC(N2CC3=CC=CC=C3C2N1)(C4=CC(=C(C=C4)Cl)Cl)O

DOS

IR

Vibrations