Geometry & MOs

Info

ID:	373589
PubChem CID:	131317567
Reduced:	ClNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	3.56
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,5-dimethyl-1H-pyrrol-3-yl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1OCCC2(CO)N)Cl

DOS

IR

Vibrations