Geometry & MOs

Info

ID:	387370
PubChem CID:	134985119
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	409.152537
ΔH_f, kcal/mol:	-58.67
Dipole, Da:	0.84
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-benzyl 1-O-ethyl (Z)-2-benzoyl-3-(3-nitrosopropyl)but-2-enedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations