Geometry & MOs

Info

ID:	79884
PubChem CID:	49831036
Reduced:	OF3N5H14C20 (1)
Stoich.:	AB3C5D14E20 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-61.7
Dipole, Da:	5.1
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3-cyclohexylimidazol-4-yl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CN1C=CC2=C(N=C(N=C21)N(C3=C(C=CC=C3F)F)C(=O)N)C4=CC=CC=C4F

DOS

IR

Vibrations