Geometry & MOs

Info

ID:	194282
PubChem CID:	78510652
Reduced:	N3O5H15C19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-13.54
Dipole, Da:	3.02
IP(EA), eV:	-9.69(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=CC=C2)OC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations