Geometry & MOs

Info

ID:	146010
PubChem CID:	53624071
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	344.108482
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	4.75
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyridin-3-yloxybenzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C3C(=CC=C2)OCO3)CN4C=CC=N4

DOS

IR

Vibrations