Geometry & MOs

Info

ID:	326316
PubChem CID:	126687320
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-23.43
Dipole, Da:	2.41
IP(EA), eV:	-9.25(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3R,4S)-3-(hydroxymethyl)-4-(3-phenylpropyl)pyrrolidin-1-yl]butan-2-yl]pyrimidin-5-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCCCC(CC=N1)(C)C

DOS

IR

Vibrations