Geometry & MOs

Info

ID:	128737
PubChem CID:	51056179
Reduced:	ON3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	396.01095
ΔH_f, kcal/mol:	77.61
Dipole, Da:	1.67
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-bromobenzoyl)-7-cyanoindolizine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)NCC4=CC=CO4

DOS

IR

Vibrations