Geometry & MOs

Info

ID:	313918
PubChem CID:	126618938
Reduced:	FN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	11.23
IP(EA), eV:	-8.63(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)C=N/C(=C/3\C=CC(=O)C=C3F)/N2

DOS

IR

Vibrations