Geometry & MOs

Info

ID:	417644
PubChem CID:	135102381
Reduced:	F3N6C18H23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	360.171689
ΔH_f, kcal/mol:	-103.76
Dipole, Da:	2.39
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1N2CCN(CC2)C3=NC(=CC(=N3)C(F)(F)F)C)C

DOS

IR

Vibrations