Geometry & MOs

Info

ID:	294511
PubChem CID:	117465514
Reduced:	N2O5H12C14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-123.55
Dipole, Da:	4.72
IP(EA), eV:	-9.2(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(2,3-dioxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)O)C

DOS

IR

Vibrations