Geometry & MOs

Info

ID:	269812
PubChem CID:	103619159
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	292.215078
ΔH_f, kcal/mol:	-38.94
Dipole, Da:	1.39
IP(EA), eV:	-8.53(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNCCCN(C)C(C)C

DOS

IR

Vibrations