Geometry & MOs

Info

ID:	414838
PubChem CID:	135087810
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	342.124739
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	7.58
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NCC(CC3=CC=CO3)CO

DOS

IR

Vibrations