Geometry & MOs

Info

ID:	367489
PubChem CID:	127324821
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-24.93
Dipole, Da:	4.56
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(OC1)CC(=O)N2CCN(CC2)CC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations