Geometry & MOs

Info

ID:	438597
PubChem CID:	135228341
Reduced:	N2S2F6C21H24 (1)
Stoich.:	A2B2C6D21E24 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-313.83
Dipole, Da:	9.09
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(2-cyclononylethenyl)pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)SC1=C(N=C(C=C1)CC(C)(C)SC2=CC=CC(=C2C(F)(F)F)N)C(F)(F)F

DOS

IR

Vibrations