Geometry & MOs

Info

ID:	289602
PubChem CID:	104360014
Reduced:	FNOBr2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	346.06808
ΔH_f, kcal/mol:	-33.03
Dipole, Da:	5.01
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CNC3=C(C=CC(=C3)Br)F)Br

DOS

IR

Vibrations