Geometry & MOs

Info

ID:	129058
PubChem CID:	51068447
Reduced:	Cl2O2N3H23C27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	425.150619
ΔH_f, kcal/mol:	42.48
Dipole, Da:	3.59
IP(EA), eV:	-9.1(-0.82)
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-2-methoxyacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations