Geometry & MOs

Info

ID:	34609
PubChem CID:	7978728
Reduced:	ClN4O4C20H25 (1)
Stoich.:	AB4C4D20E25 (1)
Weight, g/mol:	372.156433
ΔH_f, kcal/mol:	-133.7
Dipole, Da:	6.67
IP(EA), eV:	-9.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C)Cl

DOS

IR

Vibrations