Geometry & MOs

Info

ID:	272398
PubChem CID:	103741269
Reduced:	BrNOF3H7C13 (1)
Stoich.:	ABCD3E7F13 (1)
Weight, g/mol:	194.141913
ΔH_f, kcal/mol:	-124.87
Dipole, Da:	3.12
IP(EA), eV:	-9.39(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[(1-ethylcyclobutyl)methyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)F)C(=O)NC2=C(C=CC=C2Br)F

DOS

IR

Vibrations