Geometry & MOs

Info

ID:	292653
PubChem CID:	117356442
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-76.94
Dipole, Da:	2.86
IP(EA), eV:	-8.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC(CC1=C(C2=C(C=C1)OCCCO2)Cl)N

DOS

IR

Vibrations