Geometry & MOs

Info

ID:	313939
PubChem CID:	126619089
Reduced:	ClON3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	491.25842
ΔH_f, kcal/mol:	21.81
Dipole, Da:	3.4
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(4-tert-butylphenyl)methoxy]-2-fluorophenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1(CC2=NC(=NC=C2CN1)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations