Geometry & MOs

Info

ID:	434333
PubChem CID:	135174697
Reduced:	BrOCl2N2C21H23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	319.251129
ΔH_f, kcal/mol:	13.23
Dipole, Da:	4.04
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[4-[2-(propan-2-ylamino)ethoxy]phenyl]octan-2-one

Drug info:

PubChemData

Smile

C1C(CN1)CNCCCOC2=CC(=CC(=C2)/C=C/C3=C(C=C(C=C3)Cl)Br)Cl

DOS

IR

Vibrations