Geometry & MOs

Info

ID:	270859
PubChem CID:	103638451
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	367.0087
ΔH_f, kcal/mol:	-29.16
Dipole, Da:	4.13
IP(EA), eV:	-9.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations