Geometry & MOs

Info

ID:	141499
PubChem CID:	52884232
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-9.36
Dipole, Da:	8.13
IP(EA), eV:	-9.41(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (E)-but-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)[C@H](C)C(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations