Geometry & MOs

Info

ID:	131108
PubChem CID:	51157007
Reduced:	ClN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	-155.74
Dipole, Da:	3.88
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)C)C(=O)/C=C/C1=CC(=C(C(=C1)Cl)OC)OC

DOS

IR

Vibrations