Geometry & MOs

Info

ID:	307656
PubChem CID:	125307929
Reduced:	OSN3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	69.68
Dipole, Da:	4.14
IP(EA), eV:	-9.11(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2H-indole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CS[C@@H]2N=C3C4=CC=CC=C4N=C3C(=O)N2C

DOS

IR

Vibrations