Geometry & MOs

Info

ID:	296249
PubChem CID:	117563215
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	266.141913
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	6.42
IP(EA), eV:	-8.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-[3-(methylamino)phenyl]methanone

Drug info:

PubChemData

Smile

CNC1=CC=CC(=C1)C(=O)NCCCOC

DOS

IR

Vibrations