Geometry & MOs

Info

ID:	323312
PubChem CID:	126674103
Reduced:	O7C14H20 (1)
Stoich.:	A7B14C20 (1)
Weight, g/mol:	405.168001
ΔH_f, kcal/mol:	-288.98
Dipole, Da:	7.11
IP(EA), eV:	-9.24(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC(CO)O)C(=O)O)OCCCCO

DOS

IR

Vibrations