Geometry & MOs

Info

ID:	327215
PubChem CID:	126689236
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	466.16166
ΔH_f, kcal/mol:	-17.02
Dipole, Da:	3.43
IP(EA), eV:	-9.82(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[hydroxy(phenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC12C(O1)O2

DOS

IR

Vibrations