Geometry & MOs

Info

ID:	279167
PubChem CID:	103841798
Reduced:	BrClN2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	360.0604
ΔH_f, kcal/mol:	-39.68
Dipole, Da:	5.16
IP(EA), eV:	-9.46(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(=O)C2=CC(=C(C=C2)Cl)Br)C

DOS

IR

Vibrations