Geometry & MOs

Info

ID:	53495
PubChem CID:	14716368
Reduced:	N3C15H17 (1)
Stoich.:	A3B15C17 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	95.37
Dipole, Da:	4.52
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonic acid;5-methyl-N-prop-2-enyl-3-prop-2-enyliminoisoindol-1-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=NC2=NCC=C)NCC=C

DOS

IR

Vibrations