Geometry & MOs

Info

ID:	414798
PubChem CID:	135087761
Reduced:	SO3N4C28H44 (1)
Stoich.:	AB3C4D28E44 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	-146.61
Dipole, Da:	7.92
IP(EA), eV:	-8.83(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCCNC(=O)[C@@H]2C[C@@H](CN2C(=O)C3=CSC4=C3CCCC4)N(CCC1)C(=O)CC(C)C

DOS

IR

Vibrations