Geometry & MOs

Info

ID:	174535
PubChem CID:	75779728
Reduced:	BrN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	442.270582
ΔH_f, kcal/mol:	-47.84
Dipole, Da:	4.32
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-yl]-(3-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations