Geometry & MOs

Info

ID:	126325
PubChem CID:	50959764
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	53.11
Dipole, Da:	6.41
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-1-[2-(1-phenoxypropan-2-ylamino)ethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CC1CN2C3=NC(=O)CC(C3=CN2)C4=CC=C(C=C4)OCC5=CC=CC=N5

DOS

IR

Vibrations