Geometry & MOs

Info

ID:	419465
PubChem CID:	135108246
Reduced:	O2N6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	355.150761
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	8.36
IP(EA), eV:	-8.44(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3C[C@H]([C@@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations