Geometry & MOs

Info

ID:	287696
PubChem CID:	104252139
Reduced:	FON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-78.76
Dipole, Da:	2.32
IP(EA), eV:	-9.24(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(oxan-2-yl)-3-(oxan-4-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCNC(CC1CCCCO1)C2=CC(=CN=C2)F

DOS

IR

Vibrations