Geometry & MOs

Info

ID:	399067
PubChem CID:	135037458
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-49.99
Dipole, Da:	4.64
IP(EA), eV:	-9.58(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-hydroxypropan-2-yl)-2,3-dihydroindole-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N[C@@]1(CCCCC1C2=CC=CC=C2)C#N

DOS

IR

Vibrations