Geometry & MOs

Info

ID:	330704
PubChem CID:	127248111
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-77.38
Dipole, Da:	2.66
IP(EA), eV:	-9.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[3-(azocane-1-carbonyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCCC(C1)CC2=CC(=CN=C2)C(=O)NC

DOS

IR

Vibrations