Geometry & MOs

Info

ID:	196670
PubChem CID:	78862466
Reduced:	BrN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-107.28
Dipole, Da:	1.77
IP(EA), eV:	-9.11(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-(4-ethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(O1)C)Br)C(=O)NNC(=O)C(C)C

DOS

IR

Vibrations