Geometry & MOs

Info

ID:	138666
PubChem CID:	52404212
Reduced:	N2O5C19H33 (1)
Stoich.:	A2B5C19D33 (1)
Weight, g/mol:	331.274939
ΔH_f, kcal/mol:	-173.0
Dipole, Da:	11.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754704
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-1-ium-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)CN(C)CC(=O)OC)OC)O

DOS

IR

Vibrations