Geometry & MOs

Info

ID:	305924
PubChem CID:	124974524
Reduced:	ON3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	325.084475
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	1.26
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)CN2CCO[C@@H](C2)C3=NC=CC(=N3)CNC(=O)C

DOS

IR

Vibrations