Geometry & MOs

Info

ID:	174920
PubChem CID:	75832688
Reduced:	N2O2C20H25 (1)
Stoich.:	A2B2C20D25 (1)
Weight, g/mol:	374.280752
ΔH_f, kcal/mol:	-25.17
Dipole, Da:	5.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789247
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpiperidin-1-ium-1-yl)-2-methylpropyl]-3-[(2-phenylacetyl)amino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations