Geometry & MOs

Info

ID:	81077
PubChem CID:	49854322
Reduced:	N4O5C19H24 (1)
Stoich.:	A4B5C19D24 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	6.87
IP(EA), eV:	-9.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COCCOC1=CC=CC=C1NC(=O)CC2=NC(=O)C=C(N2)N3CCOCC3

DOS

IR

Vibrations