Geometry & MOs

Info

ID:	284550
PubChem CID:	104051658
Reduced:	NOBr2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	358.97463
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	4.06
IP(EA), eV:	-7.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)C(C2=C(C(=CC(=C2C)Br)C)OC)N

DOS

IR

Vibrations