Geometry & MOs

Info

ID:	289213
PubChem CID:	104340716
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	270.169191
ΔH_f, kcal/mol:	-8.91
Dipole, Da:	8.13
IP(EA), eV:	-8.94(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COCC)N(CC)CC(C)C#N

DOS

IR

Vibrations