Geometry & MOs

Info

ID:	183682
PubChem CID:	77055099
Reduced:	Br2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-37.26
Dipole, Da:	6.66
IP(EA), eV:	-9.73(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)O)OC2=C(C=C(C=C2)Br)Br)C

DOS

IR

Vibrations