Geometry & MOs

Info

ID:	194284
PubChem CID:	78510654
Reduced:	N2O5H12C14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	373.127385
ΔH_f, kcal/mol:	-35.87
Dipole, Da:	4.91
IP(EA), eV:	-10.06(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations