Geometry & MOs

Info

ID:	25475
PubChem CID:	625460
Reduced:	NOSiH15C19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	330.093519
ΔH_f, kcal/mol:	27.08
Dipole, Da:	5.84
IP(EA), eV:	-9.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(2-fluorophenyl)-1-propyl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C[Si]1(C2=C(C=NC=C2)C(=O)C3=CC=CC=C31)C4=CC=CC=C4

DOS

IR

Vibrations