Geometry & MOs

Info

ID:	198258
PubChem CID:	79075984
Reduced:	ClN4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	233.073118
ΔH_f, kcal/mol:	58.27
Dipole, Da:	2.76
IP(EA), eV:	-9.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NCCC2=CC=NC=C2)Cl

DOS

IR

Vibrations