Geometry & MOs

Info

ID:	267254
PubChem CID:	103581543
Reduced:	BrClN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	370.04475
ΔH_f, kcal/mol:	8.65
Dipole, Da:	4.02
IP(EA), eV:	-8.35(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-bromo-3-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=C(C=C1)Br)Cl)N2CCN(CC2)C

DOS

IR

Vibrations