Geometry & MOs

Info

ID:	199744
PubChem CID:	79291267
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	222.116841
ΔH_f, kcal/mol:	-11.44
Dipole, Da:	6.63
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Drug info:

PubChemData

Smile

CC(C)N1CCC(=O)NC2=C1C=CC(=C2)Br

DOS

IR

Vibrations