Geometry & MOs

Info

ID:	292556
PubChem CID:	116933585
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-72.29
Dipole, Da:	1.31
IP(EA), eV:	-8.08(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(CC(C)(C)N)N)OC)OC

DOS

IR

Vibrations