Geometry & MOs

Info

ID:	344023
PubChem CID:	127267199
Reduced:	ON6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	339.190654
ΔH_f, kcal/mol:	73.04
Dipole, Da:	8.59
IP(EA), eV:	-9.16(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[3-[(6-methoxypyrimidin-4-yl)carbamoylamino]propylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CN1C2=C(CN(CCC2)C(=O)NC3=CC4=CC=CC=C4N=N3)C=N1

DOS

IR

Vibrations