Geometry & MOs

Info

ID:	199739
PubChem CID:	79290604
Reduced:	OF2N2H8C9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	287.97596
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	1.77
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

Drug info:

PubChemData

Smile

C1CNC2=C(C=CC(=C2F)F)NC1=O

DOS

IR

Vibrations