Geometry & MOs

Info

ID:	25990
PubChem CID:	635313
Reduced:	OSiC14H22 (2)
Stoich.:	ABC14D22 (2)
Weight, g/mol:	466.00837
ΔH_f, kcal/mol:	-161.27
Dipole, Da:	0.55
IP(EA), eV:	-8.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-4H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC(C)C(C)(C)[Si](C)(C)OC1=C(C2=CC=CC3=C2C1=CC=C3)O[Si](C)(C)C(C)(C)C(C)C

DOS

IR

Vibrations