Geometry & MOs

Info

ID:	268193
PubChem CID:	103598311
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	398.150954
ΔH_f, kcal/mol:	-41.18
Dipole, Da:	3.54
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(=O)C=CC2=C(C=CC=C2Cl)Cl)C

DOS

IR

Vibrations