Geometry & MOs

Info

ID:	352379
PubChem CID:	127283466
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	5.64
IP(EA), eV:	-9.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=C4C(=CC(=C3)F)N=C(C(=N4)C)C)C

DOS

IR

Vibrations