Geometry & MOs

Info

ID:	33103
PubChem CID:	7851333
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-109.51
Dipole, Da:	3.95
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[(2S)-2-propanoyloxypropanoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)O[C@H](C)C(=O)C1=C(NC2=CC=CC=C21)C

DOS

IR

Vibrations