Geometry & MOs

Info

ID:	278851
PubChem CID:	103839059
Reduced:	ON2F3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-180.58
Dipole, Da:	4.65
IP(EA), eV:	-10.04(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylcyclopropyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C2(CC2)CNC(=O)NCC(F)(F)F

DOS

IR

Vibrations