Geometry & MOs

Info

ID:	160723
PubChem CID:	57389559
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	429.196489
ΔH_f, kcal/mol:	48.01
Dipole, Da:	2.81
IP(EA), eV:	-8.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-3-ylbenzamide

Drug info:

PubChemData

Smile

CSC1=NC=C2C=CC3=C(N(N=C3C2=N1)CC4CCNCC4)C(=O)N

DOS

IR

Vibrations