Geometry & MOs

Info

ID:	52142
PubChem CID:	12014931
Reduced:	NO6C17H27 (1)
Stoich.:	AB6C17D27 (1)
Weight, g/mol:	273.100108
ΔH_f, kcal/mol:	-286.89
Dipole, Da:	5.12
IP(EA), eV:	-9.61(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-benzyl 2-O-methyl 5-methyl-1H-pyrrole-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(CC(O1)(C(=O)OC)NC(=O)OC(C)(C)C)C(=O)CC(C)C

DOS

IR

Vibrations