Geometry & MOs

Info

ID:	27981
PubChem CID:	824507
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	222.96328
ΔH_f, kcal/mol:	-209.96
Dipole, Da:	2.01
IP(EA), eV:	-9.36(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromoquinolizin-4-one

Drug info:

PubChemData

Smile

C[C@@]1(C([C@@H](C(=O)O1)CCC(=O)N(C)C)(C)C)O

DOS

IR

Vibrations