Geometry & MOs

Info

ID:	323775
PubChem CID:	126676137
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	473.192626
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	4.51
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[[5-methyl-2-(trifluoromethyl)phenyl]methoxy]phenyl]-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)C(=C1)C(=O)NC)CC2=CC=C(C=C2)F

DOS

IR

Vibrations