Geometry & MOs

Info

ID:	313908
PubChem CID:	126618864
Reduced:	ClF2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	599.120161
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	4.9
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCC2=CN=C(N=C21)C3=CC=C(C=C3)C(CC4=C(C=C(C=C4)Cl)F)F

DOS

IR

Vibrations