Geometry & MOs

Info

ID:	1248
PubChem CID:	4041
Reduced:	ClN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	270.092376
ΔH_f, kcal/mol:	65.01
Dipole, Da:	3.45
IP(EA), eV:	-8.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations