Geometry & MOs

Info

ID:	271174
PubChem CID:	103646690
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	255.138305
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	5.32
IP(EA), eV:	-9.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCCOCC(=O)NCC1=C(C=CC=N1)C

DOS

IR

Vibrations