Geometry & MOs

Info

ID:	210368
PubChem CID:	80796995
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	55.03
Dipole, Da:	1.8
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)NCC2=CC=C(C=C2)C#N)NC

DOS

IR

Vibrations