Geometry & MOs

Info

ID:	415303
PubChem CID:	135088297
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-231.85
Dipole, Da:	4.15
IP(EA), eV:	-9.37(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-2-phenylmethoxyethanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)CC3=CC=C(C=C3)CO)O

DOS

IR

Vibrations