Geometry & MOs

Info

ID:	418102
PubChem CID:	135103588
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	17.12
Dipole, Da:	11.46
IP(EA), eV:	-9.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NN=NN3C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations