Geometry & MOs

Info

ID:	302581
PubChem CID:	124385177
Reduced:	N2O6C9H16 (1)
Stoich.:	A2B6C9D16 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-276.63
Dipole, Da:	3.75
IP(EA), eV:	-10.0(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-(3-nitropyridin-2-yl)-1H-indol-5-amine

Drug info:

PubChemData

Smile

C1CN(C(=O)N[C@@H]1O)[C@H]2[C@H]([C@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations