Geometry & MOs

Info

ID:	325403
PubChem CID:	126683080
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	403.225122
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	2.26
IP(EA), eV:	-8.99(3.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-[2-(2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)C1CCC2(C1)CCNC2

DOS

IR

Vibrations