Geometry & MOs

Info

ID:	138584
PubChem CID:	52388555
Reduced:	OSN4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	64.03
Dipole, Da:	8.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.164348
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC2=CC=CC=C2C(=O)NCCC3=C[NH+]=CN3

DOS

IR

Vibrations