Geometry & MOs

Info

ID:	294664
PubChem CID:	117480087
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	4.28
IP(EA), eV:	-8.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopropyl]methanamine

Drug info:

PubChemData

Smile

C1COC2=C(C(=C(C=C2)Br)C3CCNC3)OC1

DOS

IR

Vibrations