Geometry & MOs

Info

ID:	351526
PubChem CID:	127280414
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-87.2
Dipole, Da:	10.14
IP(EA), eV:	-8.96(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC2=NC=C(C(=O)N2C=C1)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations