Geometry & MOs

Info

ID:	419992
PubChem CID:	135110661
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-53.6
Dipole, Da:	4.51
IP(EA), eV:	-9.09(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NOC(=N2)CCC(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations