Geometry & MOs

Info

ID:	331339
PubChem CID:	127248746
Reduced:	ON6C22H26 (1)
Stoich.:	AB6C22D26 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	67.19
Dipole, Da:	4.82
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CCC3=CC=CC=C3)C4=CN=CN=C4

DOS

IR

Vibrations