Geometry & MOs

Info

ID:	309873
PubChem CID:	126563570
Reduced:	ClF2N4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	324.114174
ΔH_f, kcal/mol:	5.66
Dipole, Da:	5.64
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-7-(4-chlorophenyl)-1,5-dimethyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine

Drug info:

PubChemData

Smile

C1CN2C(=C(N=N2)C(F)F)C3=CC=CC=C3N1C4=CC=C(C=C4)Cl

DOS

IR

Vibrations