Geometry & MOs

Info

ID:	313940
PubChem CID:	126619108
Reduced:	FN3O3C29H34 (1)
Stoich.:	AB3C3D29E34 (1)
Weight, g/mol:	433.18017
ΔH_f, kcal/mol:	-118.5
Dipole, Da:	3.51
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)C(C)(C)C)F

DOS

IR

Vibrations