Geometry & MOs

Info

ID:	30492
PubChem CID:	841411
Reduced:	ClN3O3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	1.72
IP(EA), eV:	-9.04(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NNC(=O)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations