Geometry & MOs

Info

ID:	368336
PubChem CID:	127327929
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	367.167811
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	1.82
IP(EA), eV:	-9.34(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations