Geometry & MOs

Info

ID:	409159
PubChem CID:	135081938
Reduced:	BO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-184.53
Dipole, Da:	2.13
IP(EA), eV:	-8.93(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)CC=C2CCCC2

DOS

IR

Vibrations