Geometry & MOs

Info

ID:	209006
PubChem CID:	80611267
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-108.71
Dipole, Da:	4.77
IP(EA), eV:	-9.79(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

C/C=C/CC1(CCCCCCC1)C(=O)O

DOS

IR

Vibrations