Geometry & MOs

Info

ID:	367598
PubChem CID:	127325087
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	2.47
IP(EA), eV:	-9.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCC(C1)C(=O)N2CCOCC2)C3=CN=CC=C3

DOS

IR

Vibrations