Geometry & MOs

Info

ID:	128316
PubChem CID:	51038820
Reduced:	N3F5H14C20 (1)
Stoich.:	A3B5C14D20 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	-158.07
Dipole, Da:	10.5
IP(EA), eV:	-8.95(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [5-[3-(3-formylphenyl)phenyl]-2-pyridin-2-ylpyrazol-3-yl] carbonate

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(F)(F)F)C2=CC3=C(C=C2)NC(=C3)C4=C(C=CC=C4F)F

DOS

IR

Vibrations