Geometry & MOs

Info

ID:	167178
PubChem CID:	74791561
Reduced:	N3O3C25H38 (1)
Stoich.:	A3B3C25D38 (1)
Weight, g/mol:	319.238553
ΔH_f, kcal/mol:	-99.44
Dipole, Da:	26.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.079714
Charge, e:	1

Chem-info

IUPAC name:

[1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-[(3-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4CCCO4

DOS

IR

Vibrations