Geometry & MOs

Info

ID:	198288
PubChem CID:	79081004
Reduced:	ClFN4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	279.231063
ΔH_f, kcal/mol:	-3.12
Dipole, Da:	6.58
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)C2=NC(=NC=C2F)Cl

DOS

IR

Vibrations