Geometry & MOs

Info

ID:	309160
PubChem CID:	126539215
Reduced:	FO2N4C20H31 (1)
Stoich.:	AB2C4D20E31 (1)
Weight, g/mol:	282.183109
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	3.61
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methoxy-4-(5-methylhex-4-enyl)-1-oxaspiro[2.5]octan-6-yl] formate

Drug info:

PubChemData

Smile

CCC(=O)N(CC1(CCOC(C1)(C)C)N2CCNCC2)C3=C(C=CC=N3)F

DOS

IR

Vibrations