Geometry & MOs

Info

ID:	204087
PubChem CID:	79910068
Reduced:	N2O2F3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	291.231063
ΔH_f, kcal/mol:	-212.87
Dipole, Da:	5.31
IP(EA), eV:	-10.08(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

C1CCC2(C1)CC(CCO2)N3C=C(C=N3)C(=O)C(F)(F)F

DOS

IR

Vibrations