Geometry & MOs

Info

ID:	175928
PubChem CID:	75969404
Reduced:	BrClSO3H16C22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	2.83
IP(EA), eV:	-8.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-cyclopropyloxy-6-methoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CSC(=CC2=C(C=C(C=C2)O)O)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations