Geometry & MOs

Info

ID:	332408
PubChem CID:	127250694
Reduced:	ON3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	393.147075
ΔH_f, kcal/mol:	48.14
Dipole, Da:	4.89
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]-4-morpholin-4-ylsulfonylmorpholine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NN=C2C(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CN(N=C5)C

DOS

IR

Vibrations