Geometry & MOs

Info

ID:	289599
PubChem CID:	104359952
Reduced:	BrNOF2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	279.138992
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	4.34
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]cycloheptanamine

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CNC3=C(C=CC=C3F)F)Br

DOS

IR

Vibrations