Geometry & MOs

Info

ID:	204174
PubChem CID:	79923175
Reduced:	FN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-118.49
Dipole, Da:	1.11
IP(EA), eV:	-9.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methanamine

Drug info:

PubChemData

Smile

CC1C(=O)N2CCCC2C(=O)N1C(C)C3=CC=C(C=C3)F

DOS

IR

Vibrations