Geometry & MOs

Info

ID:	332259
PubChem CID:	127250545
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	2.4
IP(EA), eV:	-8.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[6-(4-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations