Geometry & MOs

Info

ID:	324017
PubChem CID:	126676765
Reduced:	O3F4H8C10 (1)
Stoich.:	A3B4C8D10 (1)
Weight, g/mol:	419.204528
ΔH_f, kcal/mol:	-276.66
Dipole, Da:	1.71
IP(EA), eV:	-10.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[[1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyliminomethyl]prop-2-enyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C(=C1F)F)COC=O)F)F

DOS

IR

Vibrations