Geometry & MOs

Info

ID:	318290
PubChem CID:	126650354
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	241.061804
ΔH_f, kcal/mol:	24.15
Dipole, Da:	0.9
IP(EA), eV:	-7.84(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1NC2=C(C=N1)NC3=CC=CC=C3O2

DOS

IR

Vibrations