Geometry & MOs

Info

ID:	331772
PubChem CID:	127250056
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-74.83
Dipole, Da:	6.8
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NC(=O)C(=C2)C(=O)N3CCOC(C3)C4=CC=CC(=N4)CC5=CC=CC=C5

DOS

IR

Vibrations