Geometry & MOs

Info

ID:	272797
PubChem CID:	103758331
Reduced:	FN3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	325.0062
ΔH_f, kcal/mol:	35.55
Dipole, Da:	3.33
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(cyanomethyl)-3-nitro-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CC2=CC(=C(C=C2)F)C#N

DOS

IR

Vibrations