Geometry & MOs

Info

ID:	231447
PubChem CID:	87573743
Reduced:	SiO5C10H20 (1)
Stoich.:	AB5C10D20 (1)
Weight, g/mol:	472.173368
ΔH_f, kcal/mol:	-304.49
Dipole, Da:	5.49
IP(EA), eV:	-9.43(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(=C)C(=O)O)[Si](OC)(OC)OC

DOS

IR

Vibrations