Geometry & MOs

Info

ID:	14157
PubChem CID:	405276
Reduced:	ClNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	279.066221
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	5.79
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-chloro-3-formylindole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C=O

DOS

IR

Vibrations