Geometry & MOs

Info

ID:	129057
PubChem CID:	51068446
Reduced:	ClFO2N3H23C27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	491.116732
ΔH_f, kcal/mol:	5.34
Dipole, Da:	3.43
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations