Geometry & MOs

Info

ID:	443177
PubChem CID:	135257981
Reduced:	ClO2N6H33C34 (1)
Stoich.:	AB2C6D33E34 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	45.85
Dipole, Da:	4.8
IP(EA), eV:	-9.02(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[(1-methylimidazol-2-yl)amino]methylidene]propanedioate

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C5CCN(CC5)CC6=CC=C(C=C6)CN

DOS

IR

Vibrations