Geometry & MOs

Info

ID:	293728
PubChem CID:	117397770
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-107.7
Dipole, Da:	2.0
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(CC1=CC2=C(C(=C1OC)Cl)OCCO2)N

DOS

IR

Vibrations