Geometry & MOs

Info

ID:	406128
PubChem CID:	135076603
Reduced:	INOH18C19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	423.08339
ΔH_f, kcal/mol:	21.81
Dipole, Da:	4.99
IP(EA), eV:	-8.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-[(2,4,6-trimethyl-N-prop-2-enylanilino)methyl]naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)C(=C)N(CC2)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations