Geometry & MOs

Info

ID:	267253
PubChem CID:	103581539
Reduced:	BrClON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	373.09204
ΔH_f, kcal/mol:	-26.87
Dipole, Da:	4.63
IP(EA), eV:	-9.41(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations