Geometry & MOs

Info

ID:	352381
PubChem CID:	127283468
Reduced:	O4N5C19H29 (1)
Stoich.:	A4B5C19D29 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-160.87
Dipole, Da:	2.85
IP(EA), eV:	-8.84(0.05)
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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C)CC

DOS

IR

Vibrations