Geometry & MOs

Info

ID:	394504
PubChem CID:	135023119
Reduced:	ClN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	386.27941
ΔH_f, kcal/mol:	-43.17
Dipole, Da:	3.02
IP(EA), eV:	-8.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-4-(3-ethoxypropyl)phenyl]-1,3-dimethylimidazolidin-2-imine

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/CC(NC2=C(N1)C=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations