Geometry & MOs

Info

ID:	296137
PubChem CID:	117557499
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	5.95
IP(EA), eV:	-9.15(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[butyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCC=C)NCCC(=O)O

DOS

IR

Vibrations