Geometry & MOs

Info

ID:	25171
PubChem CID:	620697
Reduced:	FO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	298.087291
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	3.06
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1,3-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)F

DOS

IR

Vibrations