Geometry & MOs

Info

ID:	18376
PubChem CID:	540040
Reduced:	NO9C18H23 (1)
Stoich.:	AB9C18D23 (1)
Weight, g/mol:	397.137281
ΔH_f, kcal/mol:	-391.0
Dipole, Da:	3.25
IP(EA), eV:	-9.23(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-(3,4,5-triacetyloxyoxan-2-yl)-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(N1)C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC

DOS

IR

Vibrations