Geometry & MOs

Info

ID:	404345
PubChem CID:	135065917
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	422.27557
ΔH_f, kcal/mol:	-79.27
Dipole, Da:	5.3
IP(EA), eV:	-9.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-2-tert-butyl-3-(2-phenylethynylsulfanyl)-3,4,5,6,7,7a-hexahydroindol-3a-yl]-2,2-dimethylpentan-3-imine

Drug info:

PubChemData

Smile

CCCCC(=C=C)N1[C@H](COC1=O)C(C)C

DOS

IR

Vibrations