Geometry & MOs

Info

ID:	386782
PubChem CID:	134982917
Reduced:	NC19H19 (1)
Stoich.:	AB19C19 (1)
Weight, g/mol:	361.27695
ΔH_f, kcal/mol:	115.31
Dipole, Da:	8.32
IP(EA), eV:	-8.5(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-hexyl-5-methyl-2-phenyl-3H-inden-1-amine

Drug info:

PubChemData

Smile

CCCC1=C(C1=C2C=C(C3=CC=CC=C32)C#N)CCC

DOS

IR

Vibrations