Geometry & MOs

Info

ID:	197267
PubChem CID:	78944988
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	31.04
Dipole, Da:	3.83
IP(EA), eV:	-9.31(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate

Drug info:

PubChemData

Smile

CNCC=CC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations