Geometry & MOs

Info

ID:	54793
PubChem CID:	17389285
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	277.121512
ΔH_f, kcal/mol:	171.22
Dipole, Da:	7.55
IP(EA), eV:	-9.01(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-(2-methylindol-3-ylidene)methyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN1CC=C2C(C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations