Geometry & MOs

Info

ID:	289231
PubChem CID:	104341203
Reduced:	ON5C13H25 (1)
Stoich.:	AB5C13D25 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-19.62
Dipole, Da:	5.13
IP(EA), eV:	-8.81(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]propanoate

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)NCCCCN(C)C

DOS

IR

Vibrations