Geometry & MOs

Info

ID:	202255
PubChem CID:	79646871
Reduced:	ON2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	1.88
IP(EA), eV:	-8.59(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)N(C)CC(C)(C)CN

DOS

IR

Vibrations