Geometry & MOs

Info

ID:	371624
PubChem CID:	131269140
Reduced:	N2O4H6C9 (1)
Stoich.:	A2B4C6D9 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-14.52
Dipole, Da:	5.94
IP(EA), eV:	-10.65(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)propan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1C#N)[N+](=O)[O-])C=O

DOS

IR

Vibrations