Geometry & MOs

Info

ID:	430324
PubChem CID:	135170388
Reduced:	SN2O2H16C24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	210.209599
ΔH_f, kcal/mol:	71.33
Dipole, Da:	4.14
IP(EA), eV:	-8.37(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3S,4S)-3-ethyl-2,3,7-trimethyl-7-azabicyclo[2.2.1]heptan-2-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

C#CC1=CC2=C(C=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC(=CC(=C5)O)N

DOS

IR

Vibrations