Geometry & MOs

Info

ID:	214313
PubChem CID:	84975048
Reduced:	N3O4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-128.67
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755281
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations