Geometry & MOs

Info

ID:	64435
PubChem CID:	29200614
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	3.71
IP(EA), eV:	-9.26(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-ethylpiperidin-1-yl]-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

DOS

IR

Vibrations