Geometry & MOs

Info

ID:	292527
PubChem CID:	115354197
Reduced:	BrON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	346.06808
ΔH_f, kcal/mol:	-12.8
Dipole, Da:	3.66
IP(EA), eV:	-9.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CNC1)CNC(=O)C2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations