Geometry & MOs

Info

ID:	336812
PubChem CID:	127255819
Reduced:	SN2O3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-140.0
Dipole, Da:	5.02
IP(EA), eV:	-9.5(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(hydroxymethyl)-4-methylindole-1-carboxylate

Drug info:

PubChemData

Smile

C1CNCCC12CS(=O)(=O)CC2C(=O)N

DOS

IR

Vibrations