Geometry & MOs

Info

ID:	204784
PubChem CID:	80007188
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	245.132826
ΔH_f, kcal/mol:	32.78
Dipole, Da:	2.79
IP(EA), eV:	-8.74(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-fluorophenyl)pyrimidin-2-yl]butan-1-amine

Drug info:

PubChemData

Smile

CCC(CC)N1C=C(C=N1)C2=CC=CC=C2C

DOS

IR

Vibrations