Geometry & MOs

Info

ID:	332338
PubChem CID:	127250624
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-17.34
Dipole, Da:	3.28
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(C=C4)N)C

DOS

IR

Vibrations