Geometry & MOs

Info

ID:	199736
PubChem CID:	79289863
Reduced:	BrClFN3H10C14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	236.132491
ΔH_f, kcal/mol:	27.28
Dipole, Da:	4.01
IP(EA), eV:	-9.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-6-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N2C3=C(C=NC=C3)N=C2CCCl)F)Br

DOS

IR

Vibrations