Geometry & MOs

Info

ID:	422478
PubChem CID:	135117903
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-80.06
Dipole, Da:	5.09
IP(EA), eV:	-9.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations