Geometry & MOs

Info

ID:	313932
PubChem CID:	126619067
Reduced:	F2N2O3H24C25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	367.108754
ΔH_f, kcal/mol:	-153.49
Dipole, Da:	3.32
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(3-chlorophenyl)ethynyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=C(C=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4C(F)F)CCC(=O)O

DOS

IR

Vibrations