Geometry & MOs

Info

ID:	284549
PubChem CID:	104051657
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	412.98129
ΔH_f, kcal/mol:	-20.25
Dipole, Da:	2.48
IP(EA), eV:	-9.11(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2CC3CC3C2)N)C)Br

DOS

IR

Vibrations