Geometry & MOs

Info

ID:	296127
PubChem CID:	117557265
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	12.04
Dipole, Da:	0.57
IP(EA), eV:	-8.95(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCC2=CC=CO2)NCCCN

DOS

IR

Vibrations