Geometry & MOs

Info

ID:	252777
PubChem CID:	103114047
Reduced:	N4O4C13H16 (1)
Stoich.:	A4B4C13D16 (1)
Weight, g/mol:	281.185175
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	6.96
IP(EA), eV:	-10.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCN2C(=O)CCC2=O)C(=O)OCC=C

DOS

IR

Vibrations