Geometry & MOs

Info

ID:	279222
PubChem CID:	103842156
Reduced:	BrClFNOH10C14 (1)
Stoich.:	ABCDEF10G14 (1)
Weight, g/mol:	371.02877
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	5.18
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(3-bromo-4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)F)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations