Geometry & MOs

Info

ID:	242157
PubChem CID:	96079406
Reduced:	FNH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	259.148476
ΔH_f, kcal/mol:	-32.34
Dipole, Da:	2.35
IP(EA), eV:	-9.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2-tert-butylpyrimidin-5-yl)-(2-fluorophenyl)methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H](C2=C(N=CC=C2)F)N)F

DOS

IR

Vibrations