Geometry & MOs

Info

ID:	136595
PubChem CID:	52071006
Reduced:	ClO2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	457.245095
ΔH_f, kcal/mol:	21.58
Dipole, Da:	7.05
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[1-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations