Geometry & MOs

Info

ID:	403967
PubChem CID:	135063665
Reduced:	ON2C23H24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	386.096615
ΔH_f, kcal/mol:	64.95
Dipole, Da:	4.34
IP(EA), eV:	-8.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N,5-N-bis[3-(trifluoromethyl)phenyl]-1H-pyrazole-3,5-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)OC)C3=CC=CC=C3)CC(=C)CC=C

DOS

IR

Vibrations