Geometry & MOs

Info

ID:	210308
PubChem CID:	80787443
Reduced:	ON5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	4.33
IP(EA), eV:	-8.89(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)N(CC(C)C)CC(=O)N)C(C)C

DOS

IR

Vibrations