Geometry & MOs

Info

ID:	291565
PubChem CID:	113444258
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	261.074956
ΔH_f, kcal/mol:	-5.23
Dipole, Da:	5.46
IP(EA), eV:	-8.52(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-cyano-N-cyclopropyl-2-nitroanilino)acetic acid

Drug info:

PubChemData

Smile

CCCOCCCNC1=C(C=CC(=C1)C#N)N

DOS

IR

Vibrations