Geometry & MOs

Info

ID:	262203
PubChem CID:	103276902
Reduced:	NSC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	4.46
Dipole, Da:	2.19
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-fluoro-6-nitroaniline

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CNCC2=CSC=C2C

DOS

IR

Vibrations