Geometry & MOs

Info

ID:	214303
PubChem CID:	84974999
Reduced:	OSN3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	6.68
Dipole, Da:	14.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764555
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-diethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCCC(C3)C(=O)N

DOS

IR

Vibrations