Geometry & MOs

Info

ID:	275907
PubChem CID:	103819002
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-76.01
Dipole, Da:	4.34
IP(EA), eV:	-8.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-(1H-imidazol-5-ylmethylamino)-2,3-dihydroindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNC2=CC=CC(=C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations