Geometry & MOs

Info

ID:	235185
PubChem CID:	92304189
Reduced:	FON2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-58.79
Dipole, Da:	7.14
IP(EA), eV:	-8.31(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3aR)-1,2,3,3a-tetrahydropyrrolo[1,2-a]indole-4,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCNC(=O)C[C@@H](C1=CC(=CC=C1)F)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations