Geometry & MOs

Info

ID:	32695
PubChem CID:	7847180
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-61.56
Dipole, Da:	4.17
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(pentan-3-ylamino)ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations