Geometry & MOs

Info

ID:	159249
PubChem CID:	57269318
Reduced:	ClOPC6H12 (1)
Stoich.:	ABCD6E12 (1)
Weight, g/mol:	476.212021
ΔH_f, kcal/mol:	-86.0
Dipole, Da:	5.07
IP(EA), eV:	-9.39(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-oxo-2-[[1-(3-phenylpropyl)piperidin-1-ium-1-yl]amino]ethyl]-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carboxamide

Drug info:

PubChemData

Smile

CCP(CC)CC(=O)Cl

DOS

IR

Vibrations