Geometry & MOs

Info

ID:	262236
PubChem CID:	103278609
Reduced:	N4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	350.05424
ΔH_f, kcal/mol:	5.96
Dipole, Da:	1.5
IP(EA), eV:	-8.4(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-bromo-2-fluorophenyl)pyrimidin-2-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCCC2=CN=C(N=C21)N3CCC(CC3)N)C

DOS

IR

Vibrations