Geometry & MOs

Info

ID:	332160
PubChem CID:	127250446
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-24.82
Dipole, Da:	3.97
IP(EA), eV:	-8.38(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-3-(3-methoxy-N-methylanilino)propan-1-one

Drug info:

PubChemData

Smile

CN(CCC(=O)N1CCOC(C1)C2=NC=C(C=C2)C3=CN=CN=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations