Geometry & MOs

Info

ID:	129936
PubChem CID:	51074317
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	2.85
IP(EA), eV:	-8.61(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CCCN2C(=O)CN3C=CC=N3)OC

DOS

IR

Vibrations