Geometry & MOs

Info

ID:	413770
PubChem CID:	135086720
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	345.136493
ΔH_f, kcal/mol:	-134.65
Dipole, Da:	4.29
IP(EA), eV:	-8.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-formyl-3-(2-phenylethynyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N1C)/C(=C\N(C)C)/C(=O)OCC

DOS

IR

Vibrations