Geometry & MOs

Info

ID:	79331
PubChem CID:	49748094
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	514.258006
ΔH_f, kcal/mol:	-29.61
Dipole, Da:	3.53
IP(EA), eV:	-9.27(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CN=CC=C3)C4=CC=CO4

DOS

IR

Vibrations