Geometry & MOs

Info

ID:	203999
PubChem CID:	79898644
Reduced:	NO3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	295.251129
ΔH_f, kcal/mol:	-172.76
Dipole, Da:	4.94
IP(EA), eV:	-9.3(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-(1-oxaspiro[5.5]undecan-4-yloxy)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CN)OC2CCOC3(C2)CCOCC3

DOS

IR

Vibrations