Geometry & MOs

Info

ID:	414112
PubChem CID:	135087066
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	288.256549
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	2.92
IP(EA), eV:	-10.37(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1-[(Z)-4,4-dimethylpent-2-en-3-yl]-1a,3a,4,5,6,7-hexahydroazirino[2,3-c]indole

Drug info:

PubChemData

Smile

CCCCCC[C@H](C#C)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations