Geometry & MOs

Info

ID:	313892
PubChem CID:	126618695
Reduced:	FN2O3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-121.75
Dipole, Da:	1.99
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(2-chlorophenyl)methoxy]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=NC(=C(C=C2C1)F)C3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations