Geometry & MOs

Info

ID:	196668
PubChem CID:	78861935
Reduced:	BrN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	-81.05
Dipole, Da:	2.8
IP(EA), eV:	-9.43(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC(=O)CN2CCCCC2=O

DOS

IR

Vibrations