Geometry & MOs

Info

ID:	325067
PubChem CID:	126679902
Reduced:	BrFO4N6C24H34 (1)
Stoich.:	ABC4D6E24F34 (1)
Weight, g/mol:	347.076072
ΔH_f, kcal/mol:	-197.81
Dipole, Da:	7.28
IP(EA), eV:	-8.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations