Geometry & MOs

Info

ID:	445317
PubChem CID:	135266127
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	572.278741
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	2.96
IP(EA), eV:	-9.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[2-(N-ethylanilino)ethylamino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl] 2-phenylacetate

Drug info:

PubChemData

Smile

CC(CN)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations