Geometry & MOs

Info

ID:	330017
PubChem CID:	127247004
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	48.46
Dipole, Da:	2.16
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-5-[[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3CCCC3C4=CN=CC(=N4)NC

DOS

IR

Vibrations