Geometry & MOs

Info

ID:	122003
PubChem CID:	50789335
Reduced:	O2N3C20H35 (1)
Stoich.:	A2B3C20D35 (1)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	-134.72
Dipole, Da:	4.59
IP(EA), eV:	-9.41(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1CCN(C1=O)C2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations