Geometry & MOs

Info

ID:	267997
PubChem CID:	103594505
Reduced:	FON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	208.137577
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	4.69
IP(EA), eV:	-9.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2,2,8-trimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepine

Drug info:

PubChemData

Smile

CCC1CC(=O)NC2=C(N1)C=C(C(=C2)F)C

DOS

IR

Vibrations