Geometry & MOs

Info

ID:	48390
PubChem CID:	10544003
Reduced:	SiO3C18H32 (1)
Stoich.:	AB3C18D32 (1)
Weight, g/mol:	325.092578
ΔH_f, kcal/mol:	-194.0
Dipole, Da:	2.5
IP(EA), eV:	-8.56(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(hydroxymethyl)-4-(trifluoromethyl)anilino]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)C=CCC(O2)CC=C)C(C)(C)C

DOS

IR

Vibrations