Geometry & MOs

Info

ID:	214351
PubChem CID:	84975251
Reduced:	O2N3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	4.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755288
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,6-diethylanilino)-2-oxoethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations