Geometry & MOs

Info

ID:	176253
PubChem CID:	76018721
Reduced:	N4O9C41H66 (1)
Stoich.:	A4B9C41D66 (1)
Weight, g/mol:	206.055464
ΔH_f, kcal/mol:	-410.81
Dipole, Da:	19.19
IP(EA), eV:	-9.22(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-2-(trifluoromethyl)but-3-en-1-ol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)COCCCCCCN4CCN(CCN(CCN(CC4)CC(=O)O)CC(=O)O)CC(=O)O)CCC5=CC(=O)CCC35C

DOS

IR

Vibrations