Geometry & MOs

Info

ID:	378711
PubChem CID:	134224806
Reduced:	ClFON4C20H20 (1)
Stoich.:	ABCD4E20F20 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	6.11
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E)-4-cyano-2-methyl-3-methylidenehex-4-enyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=N1)C2=CC(=O)N(C=C2)C(C)C3=CC(=C(C=C3)Cl)F

DOS

IR

Vibrations