Geometry & MOs

Info

ID:	224350
PubChem CID:	85341949
Reduced:	NOSiC22H33 (1)
Stoich.:	ABCD22E33 (1)
Weight, g/mol:	355.08954
ΔH_f, kcal/mol:	-39.64
Dipole, Da:	1.86
IP(EA), eV:	-8.29(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-[(2-hydroxyethylamino)methylidene]-2-[(4-methylpiperazin-1-yl)methyl]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCCCC(=C[Si](C)(C)C)C(C1=CC=CO1)NC2=CC=CC=C2

DOS

IR

Vibrations