Geometry & MOs

Info

ID:	70244
PubChem CID:	48409702
Reduced:	FO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	397.161326
ΔH_f, kcal/mol:	-70.89
Dipole, Da:	4.33
IP(EA), eV:	-9.33(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)F)C(=O)NCC3=C(N(N=C3C)CCOC)C

DOS

IR

Vibrations