Geometry & MOs

Info

ID:	307789
PubChem CID:	125309209
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	59.21
Dipole, Da:	6.66
IP(EA), eV:	-8.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-5H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)NCCC2=C3C=CC=CC3=NC2

DOS

IR

Vibrations