Geometry & MOs

Info

ID:	39926
PubChem CID:	8143220
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	8.24
Dipole, Da:	6.42
IP(EA), eV:	-9.4(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-(3-methylbutanoylamino)prop-2-enoate

Drug info:

PubChemData

Smile

COCCN(CC1=CC2=CC=CC=C2N=C1Cl)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations