Geometry & MOs

Info

ID:	16191
PubChem CID:	461174
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	273.100108
ΔH_f, kcal/mol:	-127.31
Dipole, Da:	4.57
IP(EA), eV:	-9.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-benzyl-1H-pyrrole-3,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CNC(=C1C(=O)OC)CC2=CC=CC=C2

DOS

IR

Vibrations