Geometry & MOs

Info

ID:	34440
PubChem CID:	7978469
Reduced:	O3N4H12C17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	18.86
Dipole, Da:	2.91
IP(EA), eV:	-9.82(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations