Geometry & MOs

Info

ID:	419637
PubChem CID:	135108572
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	340.212633
ΔH_f, kcal/mol:	-162.04
Dipole, Da:	2.79
IP(EA), eV:	-9.4(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)C3=CC=CO3)O

DOS

IR

Vibrations