Geometry & MOs

Info

ID:	402160
PubChem CID:	135054684
Reduced:	ON2C20H26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	404.142458
ΔH_f, kcal/mol:	-42.89
Dipole, Da:	4.46
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCC[C@]12CCC(=O)N1CCC3=C2NC4=CC=CC=C34

DOS

IR

Vibrations