Geometry & MOs

Info

ID:	151144
PubChem CID:	53790842
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	572.303893
ΔH_f, kcal/mol:	-85.48
Dipole, Da:	1.79
IP(EA), eV:	-8.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-2-[benzyl-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(=O)C2=C(C3=C(CCCC3(C)C)C(=C2)C)C)OC=O

DOS

IR

Vibrations