Geometry & MOs

Info

ID:	196092
PubChem CID:	78778943
Reduced:	BrFN2O3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-118.38
Dipole, Da:	1.75
IP(EA), eV:	-9.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoylamino]ethyl]propanamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations