Geometry & MOs

Info

ID:	407181
PubChem CID:	135079506
Reduced:	NO3C6H13 (2)
Stoich.:	AB3C6D13 (2)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-265.39
Dipole, Da:	1.61
IP(EA), eV:	-9.27(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-formyl-4-methyl-3-pent-4-enoxy-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC([C@@H]1[C@H]([C@@H]([C@H]1N)N)C(OC)(OC)OC)(OC)OC

DOS

IR

Vibrations