Geometry & MOs

Info

ID:	208840
PubChem CID:	80592410
Reduced:	FOSN2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	322.99055
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	2.15
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-nitrophenyl)-1-cyanocyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)F)C(=O)C2(CC2)C(=S)N

DOS

IR

Vibrations