Geometry & MOs

Info

ID:	225830
PubChem CID:	87226496
Reduced:	O2N7C17H21 (1)
Stoich.:	A2B7C17D21 (1)
Weight, g/mol:	431.9195
ΔH_f, kcal/mol:	57.19
Dipole, Da:	11.71
IP(EA), eV:	-8.29(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CN1/C(=C\2/C=C3C(=N2)C=NC=N3)/C=C(N1)C(=O)NCCN4CCOCC4

DOS

IR

Vibrations