Geometry & MOs

Info

ID:	398917
PubChem CID:	135036271
Reduced:	O3C10H14 (2)
Stoich.:	A3B10C14 (2)
Weight, g/mol:	302.141913
ΔH_f, kcal/mol:	-277.95
Dipole, Da:	2.45
IP(EA), eV:	-8.77(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(1H-indol-3-yl)-4-(1H-indol-6-yl)butan-2-one

Drug info:

PubChemData

Smile

CC1C([C@@H](C[C@@H](O1)OC2=CC=C(C=C2)C(C)(C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations