Geometry & MOs

Info

ID:	423021
PubChem CID:	135118772
Reduced:	NC2H3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	50.2
Dipole, Da:	4.63
IP(EA), eV:	-8.47(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6-hydroxyhexyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)N)NCC2=NC=CN2C)C

DOS

IR

Vibrations