Geometry & MOs

Info

ID:	416668
PubChem CID:	135089996
Reduced:	FO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	301.251798
ΔH_f, kcal/mol:	-38.92
Dipole, Da:	5.12
IP(EA), eV:	-9.91(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-N-[(5-ethylpyridin-2-yl)methyl]-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)C2=C(NN=C2)C3=CC(=CC=C3)F)CC4=CC=NC=C4

DOS

IR

Vibrations