Geometry & MOs

Info

ID:	313913
PubChem CID:	126618922
Reduced:	F2O2N3C18H19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	613.20114
ΔH_f, kcal/mol:	-128.11
Dipole, Da:	5.64
IP(EA), eV:	-9.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)CC3=C(C=CC=C3F)F)CCCC(=O)O

DOS

IR

Vibrations