Geometry & MOs

Info

ID:	277075
PubChem CID:	103826615
Reduced:	BrClNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	374.03967
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	4.93
IP(EA), eV:	-9.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations