Geometry & MOs

Info

ID:	425397
PubChem CID:	135126189
Reduced:	N2O6C27H34 (1)
Stoich.:	A2B6C27D34 (1)
Weight, g/mol:	356.99875
ΔH_f, kcal/mol:	-195.98
Dipole, Da:	2.72
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)C4=C(O3)C=C(C=C4OC)OC

DOS

IR

Vibrations