Geometry & MOs

Info

ID:	204534
PubChem CID:	79977882
Reduced:	NC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	432.91698
ΔH_f, kcal/mol:	17.24
Dipole, Da:	1.67
IP(EA), eV:	-8.53(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

CCCN1CCCC(C1C2=CC=C(C=C2)C3CC3)CN

DOS

IR

Vibrations