Geometry & MOs

Info

ID:	281097
PubChem CID:	103852953
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	4.27
IP(EA), eV:	-9.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

Drug info:

PubChemData

Smile

CCCNC(=O)CNC(=O)C1=CC=CC(=C1Br)C

DOS

IR

Vibrations