Geometry & MOs

Info

ID:	203998
PubChem CID:	79898173
Reduced:	FNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	297.230394
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	3.63
IP(EA), eV:	-8.3(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-methylcyclohexyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC2CCOC3(C2)CCCC3

DOS

IR

Vibrations