Geometry & MOs

Info

ID:	204011
PubChem CID:	79900436
Reduced:	NSO2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	3.63
IP(EA), eV:	-8.46(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2CCOC3(C2)CCSCC3)CN

DOS

IR

Vibrations