Geometry & MOs

Info

ID:	418836
PubChem CID:	135106941
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-50.57
Dipole, Da:	2.2
IP(EA), eV:	-8.18(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)C2=NC=C(C=N2)OC

DOS

IR

Vibrations