Geometry & MOs

Info

ID:	1335
PubChem CID:	4192
Reduced:	ClFN3H13C18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	325.078203
ΔH_f, kcal/mol:	44.81
Dipole, Da:	3.88
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F

DOS

IR

Vibrations