Geometry & MOs

Info

ID:	415551
PubChem CID:	135088547
Reduced:	ON4C18H32 (1)
Stoich.:	AB4C18D32 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	5.28
IP(EA), eV:	-8.18(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC(C)(C)N3CCCCC3

DOS

IR

Vibrations