Geometry & MOs

Info

ID:	294800
PubChem CID:	117497012
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-78.61
Dipole, Da:	2.66
IP(EA), eV:	-8.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-bromo-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

C1CCC2=C(C(=C(C=C2C1)Br)O)C3CNCCO3

DOS

IR

Vibrations