Geometry & MOs

Info

ID:	332421
PubChem CID:	127250707
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	77.11
Dipole, Da:	1.67
IP(EA), eV:	-8.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CC=C2)C3CN(CCO3)CC4=C(N=CC=C4)N(C)C

DOS

IR

Vibrations