Geometry & MOs

Info

ID:	392137
PubChem CID:	135013230
Reduced:	NO3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	4.44
IP(EA), eV:	-10.1(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3-hydroxybutyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

C1=CN=CC=C1[C@H]([C@@H](CO)O)O

DOS

IR

Vibrations