Geometry & MOs

Info

ID:	342318
PubChem CID:	127265095
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	307.157229
ΔH_f, kcal/mol:	-45.28
Dipole, Da:	4.5
IP(EA), eV:	-9.25(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)but-3-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CN=CS3)CCCC(=O)O

DOS

IR

Vibrations