Geometry & MOs

Info

ID:	52143
PubChem CID:	12014933
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-133.03
Dipole, Da:	0.63
IP(EA), eV:	-9.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(N1)C(=O)OC)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations