Geometry & MOs

Info

ID:	129070
PubChem CID:	51068792
Reduced:	ClN3O5C28H28 (1)
Stoich.:	AB3C5D28E28 (1)
Weight, g/mol:	469.176834
ΔH_f, kcal/mol:	-70.55
Dipole, Da:	7.59
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2CCCO2)C(=O)C3=CC=CO3)OC4=CC=CC=C4OC)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations