Geometry & MOs

Info

ID:	32694
PubChem CID:	7847177
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	6.44
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N[C@@H](C)C(C)C)C3=CC=CC=C3

DOS

IR

Vibrations