Geometry & MOs

Info

ID:	343108
PubChem CID:	127266281
Reduced:	ClF3N4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	298.140531
ΔH_f, kcal/mol:	-115.94
Dipole, Da:	4.52
IP(EA), eV:	-8.28(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNC2=CC(=CC=C2)NCC(F)(F)F)Cl)C

DOS

IR

Vibrations