Geometry & MOs

Info

ID:	34563
PubChem CID:	7978673
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	-105.27
Dipole, Da:	1.06
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-anilino-2-oxoethyl) 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(O4)COC5=CC=CC=C5

DOS

IR

Vibrations