Geometry & MOs

Info

ID:	174528
PubChem CID:	75779449
Reduced:	O2N3C26H34 (1)
Stoich.:	A2B3C26D34 (1)
Weight, g/mol:	435.19582
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	2.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996783
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[4-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1C[NH+](CCN1C2=CC=CC(=C2)C)CC3=C(OC(=N3)C4=CC=C(C=C4)OC(C)C)C

DOS

IR

Vibrations