Geometry & MOs

Info

ID:	399211
PubChem CID:	135038751
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	2.75
IP(EA), eV:	-9.89(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylethyl)-1,2,3,5,6,7-hexahydroindol-4-one

Drug info:

PubChemData

Smile

CC1([C@@H]2C[C@H]1[C@@]3([C@H](C2)O3)CCCC=C)C

DOS

IR

Vibrations