Geometry & MOs

Info

ID:	180767
PubChem CID:	76683061
Reduced:	O2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	353.206304
ΔH_f, kcal/mol:	-63.9
Dipole, Da:	1.68
IP(EA), eV:	-8.94(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-amino-4-oxo-4a,5,6,7-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)-1-hydroxypropan-2-yl] 2-amino-3-methylpentanoate

Drug info:

PubChemData

Smile

C1CC2(CC1C=CC3=CC=CC=C3)OCCO2

DOS

IR

Vibrations