Geometry & MOs

Info

ID:	290744
PubChem CID:	109936069
Reduced:	BrNO3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	321.118793
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	2.87
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(CO)N(C)CC1=CC(=C(C(=C1)Br)O)OC

DOS

IR

Vibrations