Geometry & MOs

Info

ID:	430567
PubChem CID:	135170633
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	13.88
Dipole, Da:	2.9
IP(EA), eV:	-9.93(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-oxo-4-phenyl-2H-pyrrol-2-yl) acetate

Drug info:

PubChemData

Smile

CCC1(CC1)C2=NOC(=C2)C

DOS

IR

Vibrations