Geometry & MOs

Info

ID:	432128
PubChem CID:	135172260
Reduced:	O4N5C24H33 (1)
Stoich.:	A4B5C24D33 (1)
Weight, g/mol:	388.308979
ΔH_f, kcal/mol:	-129.0
Dipole, Da:	3.29
IP(EA), eV:	-9.0(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-(cyclohexylamino)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NN=C(C=C3)C(=O)N

DOS

IR

Vibrations