Geometry & MOs

Info

ID:	338211
PubChem CID:	127258903
Reduced:	N9O9C25H45 (1)
Stoich.:	A9B9C25D45 (1)
Weight, g/mol:	289.94332
ΔH_f, kcal/mol:	-445.28
Dipole, Da:	11.63
IP(EA), eV:	-9.24(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-(trifluoromethyl)phenyl]hydrazine;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)CN.CC(=O)O.CC(=O)O

DOS

IR

Vibrations