Geometry & MOs

Info

ID:	206191
PubChem CID:	80217991
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	307.05718
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	0.96
IP(EA), eV:	-8.55(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromofuran-2-yl)-(3,5-dimethylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CCC1=CC=C(C=C1)OC)C2=CC=C(O2)Br

DOS

IR

Vibrations