Geometry & MOs

Info

ID:	130328
PubChem CID:	51075614
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	2.22
IP(EA), eV:	-9.49(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)C(=O)N(CC=C)CC=C

DOS

IR

Vibrations