Geometry & MOs

Info

ID:	415538
PubChem CID:	135088534
Reduced:	O2F3N3C18H20 (1)
Stoich.:	A2B3C3D18E20 (1)
Weight, g/mol:	306.186277
ΔH_f, kcal/mol:	-206.43
Dipole, Da:	5.25
IP(EA), eV:	-9.2(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)N3CCN(CC3)CCC(=O)O

DOS

IR

Vibrations