Geometry & MOs

Info

ID:	423333
PubChem CID:	135119323
Reduced:	ClON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	20.41
Dipole, Da:	2.78
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC2=NC=C(C=N2)Cl)CC3=CC=NC=C3

DOS

IR

Vibrations