Geometry & MOs

Info

ID:	421390
PubChem CID:	135115907
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	302.235814
ΔH_f, kcal/mol:	-31.33
Dipole, Da:	2.6
IP(EA), eV:	-8.6(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-N-[(3-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(C=CN=C1)CN2CCC(CC2)(C(=O)N)N3CCCCC3

DOS

IR

Vibrations