Geometry & MOs

Info

ID:	431889
PubChem CID:	135172010
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	437.24452
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	1.95
IP(EA), eV:	-8.58(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2-chloroazetidin-3-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C(C)CC=C

DOS

IR

Vibrations