Geometry & MOs

Info

ID:	210472
PubChem CID:	80811640
Reduced:	ClO2N4C11H17 (1)
Stoich.:	AB2C4D11E17 (1)
Weight, g/mol:	287.114903
ΔH_f, kcal/mol:	-77.57
Dipole, Da:	3.95
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC1=NC(=NC=C1Cl)N

DOS

IR

Vibrations