Geometry & MOs

Info

ID:	435393
PubChem CID:	135191353
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	351.155847
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	5.64
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanol

Drug info:

PubChemData

Smile

CN(C)C(=O)NC1=CN2C(=NN=C2C(=O)N3C[C@H]4CCC[C@H]4C3)C=C1

DOS

IR

Vibrations