Geometry & MOs

Info

ID:	313905
PubChem CID:	126618850
Reduced:	O2N3F4H11C15 (1)
Stoich.:	A2B3C4D11E15 (1)
Weight, g/mol:	465.181919
ΔH_f, kcal/mol:	-204.65
Dipole, Da:	5.18
IP(EA), eV:	-9.39(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCC2=CN=C(N=C21)C3=C(C=C(C=C3)OC(=O)C(F)(F)F)F

DOS

IR

Vibrations