Geometry & MOs

Info

ID:	261851
PubChem CID:	103255326
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-82.91
Dipole, Da:	5.84
IP(EA), eV:	-9.5(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(cyclohex-3-en-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CC=C1)NC2CCC2C(=O)O

DOS

IR

Vibrations