Geometry & MOs

Info

ID:	423542
PubChem CID:	135119701
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	313.226646
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	5.66
IP(EA), eV:	-8.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-2-N,2-N,5-N-trimethyl-5-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)C(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations