Geometry & MOs

Info

ID:	299900
PubChem CID:	117908074
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	523.280807
ΔH_f, kcal/mol:	-165.07
Dipole, Da:	2.31
IP(EA), eV:	-10.22(1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(dimethylamino)-N-[3-[2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]pyrido[3,2-d]pyrimidin-8-yl]phenyl]but-2-enamide

Drug info:

PubChemData

Smile

COCO[C@@H]1CC[C@H]2C[C@H](CC2C1)O

DOS

IR

Vibrations