Geometry & MOs

Info

ID:	170205
PubChem CID:	75206732
Reduced:	BrO3N4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	405.221641
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	2.17
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3CC(NN3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations