Geometry & MOs

Info

ID:	294801
PubChem CID:	117497014
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	4.07
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)cyclopropan-1-amine

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1CC3(CC3)N)Br)OCCCO2

DOS

IR

Vibrations