Geometry & MOs

Info

ID:	173598
PubChem CID:	75659358
Reduced:	N2O2C23H35 (1)
Stoich.:	A2B2C23D35 (1)
Weight, g/mol:	384.253869
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755015
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-1-ium-4-ol

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC(C2=CC3=C(C=C2)N(CCC3)C(=O)C4CCCC4)O

DOS

IR

Vibrations