Geometry & MOs

Info

ID:	194036
PubChem CID:	78472360
Reduced:	N2O3C24H33 (1)
Stoich.:	A2B3C24D33 (1)
Weight, g/mol:	315.243639
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.200505
Charge, e:	1

Chem-info

IUPAC name:

[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-(3-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3)OC

DOS

IR

Vibrations