Geometry & MOs

Info

ID:	333819
PubChem CID:	127252371
Reduced:	SO3N4C10H18 (1)
Stoich.:	AB3C4D10E18 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-69.55
Dipole, Da:	2.72
IP(EA), eV:	-9.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2(CCCN2S(=O)(=O)N(C)C)C

DOS

IR

Vibrations