Geometry & MOs

Info

ID:	210471
PubChem CID:	80811639
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	272.104003
ΔH_f, kcal/mol:	-75.38
Dipole, Da:	3.1
IP(EA), eV:	-8.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NC(CC(C)C)C(=O)OC)N

DOS

IR

Vibrations