Geometry & MOs

Info

ID:	12248
PubChem CID:	133478
Reduced:	NH8C10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	284.131349
ΔH_f, kcal/mol:	91.36
Dipole, Da:	2.32
IP(EA), eV:	-8.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-7H-benzo[d][1,3]benzodiazepine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C4=CC=CC=C4N2

DOS

IR

Vibrations