Geometry & MOs

Info

ID:	45522
PubChem CID:	10514494
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	3.22
IP(EA), eV:	-8.94(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S,3aR)-3-methyl-1-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@H]3C[C@@H](C2=O)CC3=O

DOS

IR

Vibrations