Geometry & MOs

Info

ID:	284554
PubChem CID:	104051666
Reduced:	BrNOCl2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	416.95622
ΔH_f, kcal/mol:	-22.73
Dipole, Da:	2.43
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2=CC(=CC(=C2)Cl)Cl)N)C)Br

DOS

IR

Vibrations