Geometry & MOs

Info

ID:	71221
PubChem CID:	48414474
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	373.160183
ΔH_f, kcal/mol:	10.79
Dipole, Da:	3.14
IP(EA), eV:	-9.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations