Geometry & MOs

Info

ID:	44740
PubChem CID:	10505684
Reduced:	O4N6C23H42 (1)
Stoich.:	A4B6C23D42 (1)
Weight, g/mol:	504.01226
ΔH_f, kcal/mol:	-218.24
Dipole, Da:	8.85
IP(EA), eV:	-9.01(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCN=C(N)N)[13CH]=O)NC(=O)C

DOS

IR

Vibrations