Geometry & MOs

Info

ID:	332976
PubChem CID:	127251400
Reduced:	O2N5C25H37 (1)
Stoich.:	A2B5C25D37 (1)
Weight, g/mol:	442.17871
ΔH_f, kcal/mol:	-49.97
Dipole, Da:	7.62
IP(EA), eV:	-8.74(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-1-propylpyrazol-4-yl)sulfonyl-2-(6-methyl-4-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC(=O)N(C3CCCCC3)C(C)C)C4=CN(N=C4)C

DOS

IR

Vibrations