Geometry & MOs

Info

ID:	30418
PubChem CID:	841302
Reduced:	F2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	3.37
IP(EA), eV:	-8.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)OC)C(F)F

DOS

IR

Vibrations