Geometry & MOs

Info

ID:	367663
PubChem CID:	127325192
Reduced:	OSN2C8H11 (2)
Stoich.:	ABC2D8E11 (2)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-51.25
Dipole, Da:	3.77
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CCC(=O)N2CCN(CC2)CC3=CSC=N3)C

DOS

IR

Vibrations