Geometry & MOs

Info

ID:	155205
PubChem CID:	56322644
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	466.101953
ΔH_f, kcal/mol:	-119.58
Dipole, Da:	2.4
IP(EA), eV:	-8.47(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-[3-[(3-hydroxybenzoyl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCCCC(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations