Geometry & MOs

Info

ID:	296456
PubChem CID:	117575608
Reduced:	N5C14H25 (1)
Stoich.:	A5B14C25 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	1.16
Dipole, Da:	4.25
IP(EA), eV:	-8.88(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(2-methoxyethylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)NC1=NC=NC(=C1)NCC2CCCNC2

DOS

IR

Vibrations