Geometry & MOs

Info

ID:	189030
PubChem CID:	77806384
Reduced:	NO2C18H24 (2)
Stoich.:	AB2C18D24 (2)
Weight, g/mol:	295.069202
ΔH_f, kcal/mol:	-127.12
Dipole, Da:	2.62
IP(EA), eV:	-8.03(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzamidopropane-1,1,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(CCCCCCC1=CC=CC=C1)C2CCC3C4CC5=C6C3(C2OC6=C(C=C5O)OC(=O)C)CCN4CC=C

DOS

IR

Vibrations