Geometry & MOs

Info

ID:	129054
PubChem CID:	51068384
Reduced:	Cl2N3O3H25C28 (1)
Stoich.:	A2B3C3D25E28 (1)
Weight, g/mol:	471.171355
ΔH_f, kcal/mol:	3.93
Dipole, Da:	4.53
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-cyclopropyl-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(C2CC2)C(=O)C3=CC=CC=C3Cl)OC4=CC=C(C=C4)OC)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations