Geometry & MOs

Info

ID:	420586
PubChem CID:	135114097
Reduced:	ClON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	8.89
IP(EA), eV:	-8.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCNC(=O)C2=CC(=C(C=C2)N3CCCC3)Cl

DOS

IR

Vibrations