Geometry & MOs

Info

ID:	394538
PubChem CID:	135023154
Reduced:	O2N6C23H34 (1)
Stoich.:	A2B6C23D34 (1)
Weight, g/mol:	428.289974
ΔH_f, kcal/mol:	-9.04
Dipole, Da:	5.59
IP(EA), eV:	-8.71(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3,4-bis[[(1,3-dimethylimidazolidin-2-ylidene)amino]methyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC(=C(C=C1)CN=C2N(CCN2C)C)CN=C3N(CCN3C)C

DOS

IR

Vibrations