Geometry & MOs

Info

ID:	331426
PubChem CID:	127248833
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	436.202302
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	4.42
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2)C(=O)N3CCOC(C3)C4=NC(=NC=C4C5=CN=CN=C5)N(C)C

DOS

IR

Vibrations