Geometry & MOs

Info

ID:	382440
PubChem CID:	134973587
Reduced:	PN3O10H42C45 (1)
Stoich.:	AB3C10D42E45 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-267.95
Dipole, Da:	10.19
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)NC2=CC=C(C=C2)P(=O)(C3=CC=C(C=C3)NC(=O)C4=C(C(=CC=C4)OC)OC)C5=CC=C(C=C5)NC(=O)C6=C(C(=CC=C6)OC)OC

DOS

IR

Vibrations