Geometry & MOs

Info

ID:	174531
PubChem CID:	75779575
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	501.07218
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	5.58
IP(EA), eV:	-8.79(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=C(OC(=N3)C4=CC=CC=C4OC)C)C

DOS

IR

Vibrations