Geometry & MOs

Info

ID:	413921
PubChem CID:	135086872
Reduced:	BrO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	364.157563
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	1.54
IP(EA), eV:	-9.42(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-phenyl-3-(2-phenylethynyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

C=C[C@H]1[C@@H](C(=C[C@H]2[C@@H]1C(OC2)O)Br)COCC3=CC=CC=C3

DOS

IR

Vibrations