Geometry & MOs

Info

ID:	415742
PubChem CID:	135088742
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-71.25
Dipole, Da:	1.66
IP(EA), eV:	-9.38(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)N3CCN4C(C3)COC4=O

DOS

IR

Vibrations