Geometry & MOs

Info

ID:	421564
PubChem CID:	135116236
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	370.157869
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	4.71
IP(EA), eV:	-8.26(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-N-[(3,5-dichloro-2-methoxyphenyl)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=C(N=CN1)CN2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations