Geometry & MOs

Info

ID:	26846
PubChem CID:	799650
Reduced:	SN2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	44.75
Dipole, Da:	4.81
IP(EA), eV:	-8.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)morpholine-4-carbothioamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=S)NCCC2=CC=CC=C2

DOS

IR

Vibrations