Geometry & MOs

Info

ID:	271365
PubChem CID:	103669852
Reduced:	SN3O4C15H23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	5.46
IP(EA), eV:	-9.47(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethylcyclopropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)NCC2=CSC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations