Geometry & MOs

Info

ID:	343107
PubChem CID:	127266280
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	332.101559
ΔH_f, kcal/mol:	4.46
Dipole, Da:	6.43
IP(EA), eV:	-8.01(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C=C1CNC2=CC3=C(C=C2)NC(=O)N3)C

DOS

IR

Vibrations