Geometry & MOs

Info

ID:	130344
PubChem CID:	51075665
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-19.04
Dipole, Da:	6.53
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=C(O1)C(=O)NC2=CC=CC=N2

DOS

IR

Vibrations