Geometry & MOs

Info

ID:	54419
PubChem CID:	17155250
Reduced:	BrFNO3C18H21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	513.05855
ΔH_f, kcal/mol:	-123.51
Dipole, Da:	1.86
IP(EA), eV:	-9.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)CNCCOCCO)F

DOS

IR

Vibrations