Geometry & MOs

Info

ID:	352368
PubChem CID:	127283455
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-62.95
Dipole, Da:	1.85
IP(EA), eV:	-8.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C

DOS

IR

Vibrations