Geometry & MOs

Info

ID:	289494
PubChem CID:	104358281
Reduced:	BrClON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	405.87938
ΔH_f, kcal/mol:	-32.71
Dipole, Da:	4.66
IP(EA), eV:	-9.25(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2-chlorophenyl)-(5-bromo-2-methoxyphenyl)methanol

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=C(C(=CC=C2)Br)Cl)N

DOS

IR

Vibrations