Geometry & MOs

Info

ID:	204058
PubChem CID:	79907030
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	1.67
Dipole, Da:	3.0
IP(EA), eV:	-8.46(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-3-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

C1CC1NCC2=NN(C=C2)C3CCOC4(C3)CCSCC4

DOS

IR

Vibrations