Geometry & MOs

Info

ID:	144463
PubChem CID:	53372834
Reduced:	O4N6H26C27 (1)
Stoich.:	A4B6C26D27 (1)
Weight, g/mol:	411.169525
ΔH_f, kcal/mol:	-27.62
Dipole, Da:	2.92
IP(EA), eV:	-8.81(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-benzyl-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)/C=C\5/C(=O)NC(=O)N5CC6=CC=CC=C6

DOS

IR

Vibrations