Geometry & MOs

Info

ID:	134380
PubChem CID:	51688010
Reduced:	BrOCl2N4H11C19 (1)
Stoich.:	ABC2D4E11F19 (1)
Weight, g/mol:	385.19209
ΔH_f, kcal/mol:	91.59
Dipole, Da:	3.83
IP(EA), eV:	-9.34(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)[C@@H]2C(=C(OC3=NNC(=C23)C4=CC(=C(C=C4)Cl)Cl)N)C#N

DOS

IR

Vibrations