Geometry & MOs

Info

ID:	177621
PubChem CID:	76204279
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	316.97213
ΔH_f, kcal/mol:	-81.11
Dipole, Da:	5.18
IP(EA), eV:	-9.21(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(5-bromothiophen-2-yl)prop-2-enoylamino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC(=O)N(CCCO)C(C)C

DOS

IR

Vibrations