Geometry & MOs

Info

ID:	367624
PubChem CID:	127325114
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	19.61
Dipole, Da:	3.2
IP(EA), eV:	-8.53(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylmorpholin-4-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=NC=CN=C4

DOS

IR

Vibrations