Geometry & MOs

Info

ID:	195544
PubChem CID:	78698041
Reduced:	SO2N4C14H21 (1)
Stoich.:	AB2C4D14E21 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-64.84
Dipole, Da:	2.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.950480
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC2=[N+](C(=O)N(C(=O)C2C(=N1)SCCC(C)C)C)C

DOS

IR

Vibrations