Geometry & MOs

Info

ID:	342893
PubChem CID:	127266056
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-74.86
Dipole, Da:	5.2
IP(EA), eV:	-8.47(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-3-ethynylmorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)N2CCC(S(=O)CC2)(C)C

DOS

IR

Vibrations