Geometry & MOs

Info

ID:	284553
PubChem CID:	104051665
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	386.97923
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	1.92
IP(EA), eV:	-9.09(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2CCCC2)N)C)Br

DOS

IR

Vibrations