Geometry & MOs

Info

ID:	421545
PubChem CID:	135116187
Reduced:	N5C14H27 (1)
Stoich.:	A5B14C27 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	12.59
Dipole, Da:	4.36
IP(EA), eV:	-8.54(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-[[2-(benzylamino)pyrimidin-5-yl]methyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

CCN(C)C1=NC=NC(=C1)NCCC(C)N(C)CC

DOS

IR

Vibrations