Geometry & MOs

Info

ID:	415531
PubChem CID:	135088527
Reduced:	NOC11H16 (2)
Stoich.:	ABC11D16 (2)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-96.95
Dipole, Da:	7.18
IP(EA), eV:	-7.97(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC=C(C=C3)N4CCCCC4)O

DOS

IR

Vibrations