Geometry & MOs

Info

ID:	129055
PubChem CID:	51068444
Reduced:	ClO2N3H26C28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	475.146283
ΔH_f, kcal/mol:	44.78
Dipole, Da:	5.92
IP(EA), eV:	-9.16(-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-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N(CC2=C(N(N=C2C)C3=CC(=CC=C3)Cl)OC4=CC=CC=C4)C5CC5

DOS

IR

Vibrations