Geometry & MOs

Info

ID:	11117
PubChem CID:	111149
Reduced:	O2N3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	290.186852
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	1.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759862
Charge, e:	1

Chem-info

IUPAC name:

[(3aR,8bS)-3,4,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-7-yl] N-methylcarbamate

Drug info:

PubChemData

Smile

C[C@@]12CCN([C@@H]1[N+](C3=C2C=C(C=C3)OC(=O)NC)(C)C)C

DOS

IR

Vibrations