Geometry & MOs

Info

ID:	168986
PubChem CID:	75050322
Reduced:	BrFN5O5H25C26 (1)
Stoich.:	ABC5D5E25F26 (1)
Weight, g/mol:	2158.095321
ΔH_f, kcal/mol:	-172.42
Dipole, Da:	4.38
IP(EA), eV:	-8.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(=O)C4=CNC5=C4C=C(C=C5)Br)F

DOS

IR

Vibrations