Geometry & MOs

Info

ID:	417292
PubChem CID:	135091953
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	-99.57
Dipole, Da:	5.42
IP(EA), eV:	-8.08(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C(=O)NC)NC1=NC2=C(C=CC(=C2C(=C1)C)OC)OC

DOS

IR

Vibrations