Geometry & MOs

Info

ID:	432129
PubChem CID:	135172261
Reduced:	NOC12H20 (2)
Stoich.:	ABC12D20 (2)
Weight, g/mol:	432.298808
ΔH_f, kcal/mol:	-130.42
Dipole, Da:	5.82
IP(EA), eV:	-7.96(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[bis(2-methylpropyl)amino]-5-(1-carboxypropan-2-yl)anilino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2CCCCC2

DOS

IR

Vibrations