Geometry & MOs

Info

ID:	174530
PubChem CID:	75779574
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	2.41
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-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

CC1=CC=CC=C1C=CC(=O)N2CCN(CC2)CC3=C(OC(=N3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations