Geometry & MOs

Info

ID:	34495
PubChem CID:	7978547
Reduced:	ClN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	393.145534
ΔH_f, kcal/mol:	-135.46
Dipole, Da:	5.92
IP(EA), eV:	-8.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2OC)Cl

DOS

IR

Vibrations