Geometry & MOs

Info

ID:	191661
PubChem CID:	78174314
Reduced:	O4C17H26 (2)
Stoich.:	A4B17C26 (2)
Weight, g/mol:	324.05857
ΔH_f, kcal/mol:	-356.95
Dipole, Da:	4.66
IP(EA), eV:	-9.17(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[2-(1-phenylpropylidene)hydrazinyl]diazinan-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C)C)O)C=C(C4=O)C)O)CO

DOS

IR

Vibrations