Geometry & MOs

Info

ID:	204059
PubChem CID:	79907031
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	-17.74
Dipole, Da:	2.92
IP(EA), eV:	-8.87(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

C1CCC2(CC1)CC(CCO2)N3C=CC(=N3)CNC4CC4

DOS

IR

Vibrations