Geometry & MOs

Info

ID:	296293
PubChem CID:	117566635
Reduced:	BrN2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	7.61
Dipole, Da:	3.23
IP(EA), eV:	-8.19(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCCCNC)Br

DOS

IR

Vibrations