Geometry & MOs

Info

ID:	48140
PubChem CID:	10537404
Reduced:	O2N4H10C11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	79.24
Dipole, Da:	10.03
IP(EA), eV:	-9.51(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-5-oxo-2-propoxy-3H-indolizine-6-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(N=C1/C=C/C2=CN=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations