Geometry & MOs

Info

ID:	3270
PubChem CID:	9419
Reduced:	ON3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	295.168462
ΔH_f, kcal/mol:	19.84
Dipole, Da:	3.35
IP(EA), eV:	-8.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C

DOS

IR

Vibrations