Geometry & MOs

Info

ID:	367488
PubChem CID:	127324820
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	2.11
IP(EA), eV:	-8.71(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-yl)-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)CC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations