Geometry & MOs

Info

ID:	174529
PubChem CID:	75779573
Reduced:	FN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	3.22
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2OC)CN3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)F

DOS

IR

Vibrations