Geometry & MOs

Info

ID:	285764
PubChem CID:	104128861
Reduced:	OSN5C11H13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	37.62
Dipole, Da:	2.51
IP(EA), eV:	-9.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyridin-4-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)NN)C(=O)NCC2=CSC=N2

DOS

IR

Vibrations