Geometry & MOs

Info

ID:	431550
PubChem CID:	135171638
Reduced:	O2C15H28 (1)
Stoich.:	A2B15C28 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-147.97
Dipole, Da:	5.52
IP(EA), eV:	-10.5(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(5-cyanopyridin-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCCCCCC1C(C(C(=O)O1)C)CCCC

DOS

IR

Vibrations