Geometry & MOs

Info

ID:	28009
PubChem CID:	824818
Reduced:	ClN3H8C10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	63.69
Dipole, Da:	2.85
IP(EA), eV:	-8.84(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2S)-3-methyl-4-phenylbut-3-en-2-yl] N-phenylcarbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)N

DOS

IR

Vibrations