Geometry & MOs

Info

ID:	284547
PubChem CID:	104051655
Reduced:	BrINOSC14H15 (1)
Stoich.:	ABCDEF14G15 (1)
Weight, g/mol:	412.98129
ΔH_f, kcal/mol:	19.9
Dipole, Da:	1.67
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3-bromo-4-methylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2=CSC(=C2)I)N)C)Br

DOS

IR

Vibrations