Geometry & MOs

Info

ID:	171444
PubChem CID:	75378555
Reduced:	ON7H13C16 (1)
Stoich.:	AB7C13D16 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	126.71
Dipole, Da:	6.28
IP(EA), eV:	-9.69(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(N=N2)CNC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations