Geometry & MOs

Info

ID:	335695
PubChem CID:	127254557
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	592.128025
ΔH_f, kcal/mol:	4.41
Dipole, Da:	6.21
IP(EA), eV:	-8.76(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-3-[[2-[1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-1H-indole-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC3=CC=CC=C3N2)C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations