Geometry & MOs

Info

ID:	287387
PubChem CID:	104239703
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	290.118591
ΔH_f, kcal/mol:	-52.62
Dipole, Da:	6.46
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-5-chloro-3-cyclopentylpyrazol-4-yl)methanol

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C=C(S2)C(=O)O)C(=N1)C3CCCC3

DOS

IR

Vibrations