Geometry & MOs

Info

ID:	280931
PubChem CID:	103851997
Reduced:	ClFNOC13H19 (1)
Stoich.:	ABCDE13F19 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-103.58
Dipole, Da:	3.14
IP(EA), eV:	-9.43(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(oxan-4-yl)ethanamine

Drug info:

PubChemData

Smile

CCC(C)(CCO)NCC1=CC(=C(C=C1)F)Cl

DOS

IR

Vibrations