Geometry & MOs

Info

ID:	417539
PubChem CID:	135099959
Reduced:	FON4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-44.06
Dipole, Da:	2.73
IP(EA), eV:	-9.07(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)CCC2=CC=CC=C2F

DOS

IR

Vibrations