Geometry & MOs

Info

ID:	402452
PubChem CID:	135056014
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	341.177964
ΔH_f, kcal/mol:	-66.94
Dipole, Da:	3.19
IP(EA), eV:	-8.36(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(2,5-dimethyl-1H-indol-3-yl)-1,2-diphenylethanol

Drug info:

PubChemData

Smile

CCCC[C@H]([C@@H](CCCC)O)NC1=CC=CC=C1

DOS

IR

Vibrations