Geometry & MOs

Info

ID:	12323
PubChem CID:	134877
Reduced:	ClFN2O2H12C17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	330.057134
ΔH_f, kcal/mol:	-49.28
Dipole, Da:	4.34
IP(EA), eV:	-9.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC=O

DOS

IR

Vibrations