Geometry & MOs

Info

ID:	197567
PubChem CID:	78978818
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	7.41
IP(EA), eV:	-9.47(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-methyl-3-nitrophenyl)methyl-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CCC1=CC=C(C=C1)[N+](=O)[O-])CC=C

DOS

IR

Vibrations