Geometry & MOs

Info

ID:	174533
PubChem CID:	75779726
Reduced:	BrN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	525.12632
ΔH_f, kcal/mol:	-23.29
Dipole, Da:	4.01
IP(EA), eV:	-8.61(-0.82)
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-(3-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=C(C=CC(=C2)Br)OC)CN3CCN(CC3)C(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations