Geometry & MOs

Info

ID:	420092
PubChem CID:	135111110
Reduced:	N5C19H25 (1)
Stoich.:	A5B19C25 (1)
Weight, g/mol:	358.180504
ΔH_f, kcal/mol:	45.21
Dipole, Da:	2.77
IP(EA), eV:	-8.58(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[1-(4-ethoxy-3-fluorophenyl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1)N2CCCC3(C2)CCC4=CN=C(N=C34)C

DOS

IR

Vibrations