Geometry & MOs

Info

ID:	341329
PubChem CID:	127264022
Reduced:	BrClO2N3C9H11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	281.189198
ΔH_f, kcal/mol:	-74.62
Dipole, Da:	3.89
IP(EA), eV:	-9.55(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC(=CN=C1Br)Cl

DOS

IR

Vibrations