Geometry & MOs

Info

ID:	418831
PubChem CID:	135106936
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-83.32
Dipole, Da:	1.4
IP(EA), eV:	-9.27(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxyethyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations