Geometry & MOs

Info

ID:	283666
PubChem CID:	103996944
Reduced:	ClFN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	421.91269
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	3.98
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-5-iodobenzoyl)-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2C(=C1C(C)C)NN)Cl)F

DOS

IR

Vibrations