Geometry & MOs

Info

ID:	356117
PubChem CID:	127291153
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-145.52
Dipole, Da:	3.06
IP(EA), eV:	-8.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3CCCOC3

DOS

IR

Vibrations