Geometry & MOs

Info

ID:	30855
PubChem CID:	842011
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	293.093104
ΔH_f, kcal/mol:	-67.27
Dipole, Da:	3.41
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3CCCCC3

DOS

IR

Vibrations