Geometry & MOs

Info

ID:	284347
PubChem CID:	104045505
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	243.219829
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	3.68
IP(EA), eV:	-8.84(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethyloxan-4-yl)oxypropyl]butan-2-amine

Drug info:

PubChemData

Smile

CCNCC1=CC(=CC=C1)COC2CC(OC(C2)C)C

DOS

IR

Vibrations