Geometry & MOs

Info

ID:	34614
PubChem CID:	7978734
Reduced:	ClN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	406.140783
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	1.05
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)/C=C/C4=CC=CC=C4Cl

DOS

IR

Vibrations