Geometry & MOs

Info

ID:	229320
PubChem CID:	87567405
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	6.74
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1Z)-1-(2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C(=C/C2=CC=C(C=C2)/C=C/C(=O)NO)/C(=O)NC3CC3

DOS

IR

Vibrations