Geometry & MOs

Info

ID:	305863
PubChem CID:	124971620
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	299.093977
ΔH_f, kcal/mol:	-55.69
Dipole, Da:	6.81
IP(EA), eV:	-9.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=NO1)C)C2=NC(=CC=C2)[C@@H]3CN(CCO3)C(=O)CN4CCCC4

DOS

IR

Vibrations