Geometry & MOs

Info

ID:	214299
PubChem CID:	84974994
Reduced:	BrOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	326.186852
ΔH_f, kcal/mol:	30.84
Dipole, Da:	3.21
IP(EA), eV:	-8.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=C(S2)Br

DOS

IR

Vibrations