Geometry & MOs

Info

ID:	60898
PubChem CID:	26702973
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	427.170748
ΔH_f, kcal/mol:	8.73
Dipole, Da:	3.14
IP(EA), eV:	-9.37(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(C)C(=O)/C=C/C2=NC3=CC=CC=C3O2

DOS

IR

Vibrations