Geometry & MOs

Info

ID:	351575
PubChem CID:	127280467
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	6.72
IP(EA), eV:	-9.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations