Geometry & MOs

Info

ID:	442828
PubChem CID:	135256451
Reduced:	NC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	486.31071
ΔH_f, kcal/mol:	20.18
Dipole, Da:	2.68
IP(EA), eV:	-8.57(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-N-(oxolan-3-yl)-6-[(E)-1-[(6-pyrrolidin-1-ylpyridin-2-yl)methylamino]prop-1-en-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)CC/C=C\C=C/N=CN

DOS

IR

Vibrations