Geometry & MOs

Info

ID:	34504
PubChem CID:	7978585
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	406.140783
ΔH_f, kcal/mol:	-99.73
Dipole, Da:	3.02
IP(EA), eV:	-9.22(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=C(C=C2)C

DOS

IR

Vibrations