Geometry & MOs

Info

ID:	202989
PubChem CID:	79758921
Reduced:	OF2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	294.15437
ΔH_f, kcal/mol:	-81.97
Dipole, Da:	3.65
IP(EA), eV:	-7.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-amino-2,6-difluorophenyl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2F)N)F

DOS

IR

Vibrations