Geometry & MOs

Info

ID:	418383
PubChem CID:	135104450
Reduced:	ClN4C15H25 (1)
Stoich.:	AB4C15D25 (1)
Weight, g/mol:	324.220164
ΔH_f, kcal/mol:	-0.37
Dipole, Da:	4.45
IP(EA), eV:	-8.82(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4-tert-butylphenyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NC(C)(C)CN2CCCCCC2)Cl

DOS

IR

Vibrations