Geometry & MOs

Info

ID:	405633
PubChem CID:	135074739
Reduced:	NSO5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	235.1361
ΔH_f, kcal/mol:	-134.72
Dipole, Da:	4.15
IP(EA), eV:	-9.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylidene(phenyl)methyl]-4-methylaniline

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/CC(C1=CC=CC=N1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations