Geometry & MOs

Info

ID:	326241
PubChem CID:	126687219
Reduced:	NO2C24H31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-79.83
Dipole, Da:	0.73
IP(EA), eV:	-8.89(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-(3-cyclopropylpropyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-1-(5-hydroxypyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2(C[C@@H]3CN(C[C@@H]3C2)CC(C)C4=CC=C(C=C4)O)O

DOS

IR

Vibrations