Geometry & MOs

Info

ID:	320795
PubChem CID:	126663481
Reduced:	NO4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	456.03472
ΔH_f, kcal/mol:	-194.84
Dipole, Da:	2.82
IP(EA), eV:	-9.45(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dibromo-4-butyl-5-methyl-6-(1-piperazin-1-ylethylideneamino)benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)(COC)C=O

DOS

IR

Vibrations