Geometry & MOs

Info

ID:	194910
PubChem CID:	78607783
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-16.54
Dipole, Da:	3.62
IP(EA), eV:	-8.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-prop-2-enoxyphenyl)methylideneamino]-2-(2,4,6-trimethylanilino)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NCC(=O)NN=CC2=CC(=C(C(=C2)Cl)OCC#C)OC)C

DOS

IR

Vibrations