Geometry & MOs

Info

ID:	448785
PubChem CID:	135293599
Reduced:	FN7H20C21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	379.194757
ΔH_f, kcal/mol:	85.4
Dipole, Da:	3.0
IP(EA), eV:	-8.83(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)C2=NC=C3C=NN(C3=C2)C4=NC(=CC=C4)N5CCC[C@@H](C5)F

DOS

IR

Vibrations