Geometry & MOs

Info

ID:	43541
PubChem CID:	10321443
Reduced:	O2N3C11H18 (2)
Stoich.:	A2B3C11D18 (2)
Weight, g/mol:	448.226312
ΔH_f, kcal/mol:	-175.68
Dipole, Da:	3.81
IP(EA), eV:	-8.88(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(2-methylquinolin-4-yl)amino]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC=CC=C1

DOS

IR

Vibrations