Geometry & MOs

Info

ID:	309941
PubChem CID:	126568683
Reduced:	FNO6C27H28 (1)
Stoich.:	ABC6D27E28 (1)
Weight, g/mol:	384.139782
ΔH_f, kcal/mol:	-148.55
Dipole, Da:	4.38
IP(EA), eV:	-8.79(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)C2=C(C(=NO2)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4)OCC5CC5

DOS

IR

Vibrations