Geometry & MOs

Info

ID:	174979
PubChem CID:	75840880
Reduced:	N3O4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	365.07555
ΔH_f, kcal/mol:	-127.98
Dipole, Da:	3.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.036507
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCCN2CCOCC2)C[NH+]3CCCC(C3)C(=O)N

DOS

IR

Vibrations