Geometry & MOs

Info

ID:	71745
PubChem CID:	48415305
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	31.46
Dipole, Da:	5.58
IP(EA), eV:	-8.75(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3

DOS

IR

Vibrations