Geometry & MOs

Info

ID:	438253
PubChem CID:	135227981
Reduced:	N5C13H15 (1)
Stoich.:	A5B13C15 (1)
Weight, g/mol:	402.01277
ΔH_f, kcal/mol:	81.03
Dipole, Da:	5.98
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(3-fluoropyridin-2-yl)-phenylmethyl]-2-nitropyridin-3-amine

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C)C2=CC3=C(C=C2)N=C(N3)C

DOS

IR

Vibrations