Geometry & MOs

Info

ID:	413811
PubChem CID:	135086761
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	310.059841
ΔH_f, kcal/mol:	-76.14
Dipole, Da:	2.81
IP(EA), eV:	-9.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(E)-1,3-dithiophen-2-ylprop-2-enylidene]amino]aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C(=N/NC(=O)OC(C)(C)C)/CCl

DOS

IR

Vibrations