Geometry & MOs

Info

ID:	210701
PubChem CID:	80842553
Reduced:	NC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	252.175025
ΔH_f, kcal/mol:	12.04
Dipole, Da:	3.99
IP(EA), eV:	-8.52(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,4-dimethylazepan-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1(CCCN(CC1)C2=NC(=NC=C2)N)C

DOS

IR

Vibrations