Geometry & MOs

Info

ID:	294806
PubChem CID:	117497059
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-74.67
Dipole, Da:	3.22
IP(EA), eV:	-7.78(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-bromospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)propan-1-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC3=C(C=C2Br)OCCO3)N

DOS

IR

Vibrations