Geometry & MOs

Info

ID:	387734
PubChem CID:	134986639
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-87.72
Dipole, Da:	4.8
IP(EA), eV:	-9.91(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(E,2S)-3-oxohex-4-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C(=O)OC)C(C#N)(C1=CC=CC=C1)O

DOS

IR

Vibrations