Geometry & MOs

Info

ID:	182286
PubChem CID:	76870795
Reduced:	FN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	437.150619
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	4.88
IP(EA), eV:	-8.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCCOC(=O)C=CC3=CC=C(C=C3)F

DOS

IR

Vibrations