Geometry & MOs

Info

ID:	297358
PubChem CID:	117615982
Reduced:	OF3N4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	404.159074
ΔH_f, kcal/mol:	-150.45
Dipole, Da:	3.62
IP(EA), eV:	-8.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCOC1=CC(=CC(=C1)C(F)(F)F)C2=C(C=NN2)CN(C)CCNC

DOS

IR

Vibrations