Geometry & MOs

Info

ID:	214130
PubChem CID:	81086986
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	5.46
IP(EA), eV:	-9.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CCC(CC(=O)N(C)CC1=CC(=CC=C1)[N+](=O)[O-])CN

DOS

IR

Vibrations