Geometry & MOs

Info

ID:	242713
PubChem CID:	99008633
Reduced:	N4O5C19H20 (1)
Stoich.:	A4B5C19D20 (1)
Weight, g/mol:	437.111789
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	6.56
IP(EA), eV:	-9.44(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N[C@@H](C)C(=O)N4CCOCC4

DOS

IR

Vibrations