Geometry & MOs

Info

ID:	431943
PubChem CID:	135172070
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	6.54
IP(EA), eV:	-8.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NN4C=CC=CC4=N3

DOS

IR

Vibrations