Geometry & MOs

Info

ID:	41551
PubChem CID:	8146250
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-103.07
Dipole, Da:	3.95
IP(EA), eV:	-8.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,4-dimethylphenyl)-3-(4-nitrophenyl)prop-2-en-1-imine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations