Geometry & MOs

Info

ID:	367591
PubChem CID:	127325080
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-105.8
Dipole, Da:	3.14
IP(EA), eV:	-9.29(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)C(=O)CN2CCOCC2)C3=CN=CC=C3

DOS

IR

Vibrations