Geometry & MOs

Info

ID:	371317
PubChem CID:	127345680
Reduced:	ClN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-128.35
Dipole, Da:	5.1
IP(EA), eV:	-8.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-ethyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC(=C(C=C2)Cl)NC(=O)CC3CCOC3

DOS

IR

Vibrations