Geometry & MOs

Info

ID:	361709
PubChem CID:	127304524
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	378.183795
ΔH_f, kcal/mol:	-128.88
Dipole, Da:	3.56
IP(EA), eV:	-9.03(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3CC(=O)N(C3)C(C)(C)C)C

DOS

IR

Vibrations