Geometry & MOs

Info

ID:	332001
PubChem CID:	127250287
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	5.76
IP(EA), eV:	-9.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations