Geometry & MOs

Info

ID:	228475
PubChem CID:	87564720
Reduced:	FON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	625.145044
ΔH_f, kcal/mol:	15.1
Dipole, Da:	5.44
IP(EA), eV:	-7.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]1C2=CNN(C2=CC3=C1[C@H](CC3)CC(C#C)NC(=O)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations