Geometry & MOs

Info

ID:	370660
PubChem CID:	127339819
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-49.26
Dipole, Da:	9.49
IP(EA), eV:	-9.27(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3CC(=O)N(C3)CC4=CC=C(C=C4)C

DOS

IR

Vibrations