Geometry & MOs

Info

ID:	415674
PubChem CID:	135088673
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	372.208075
ΔH_f, kcal/mol:	-52.83
Dipole, Da:	5.05
IP(EA), eV:	-8.77(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-N-[[1-(2-chlorophenyl)pyrazol-4-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

CCCCN1C2=CC=CC=C2N=C1CN3CCCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations