Geometry & MOs

Info

ID:	284546
PubChem CID:	104051653
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	450.91024
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	4.69
IP(EA), eV:	-9.26(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2CCCCN2)C)Br

DOS

IR

Vibrations