Geometry & MOs

Info

ID:	199791
PubChem CID:	79296013
Reduced:	SN3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	208.101191
ΔH_f, kcal/mol:	58.41
Dipole, Da:	2.91
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1(CC1N2C3=C(C=NC=C3)NC2=S)C

DOS

IR

Vibrations