Geometry & MOs

Info

ID:	432312
PubChem CID:	135172445
Reduced:	NC14H31 (1)
Stoich.:	AB14C31 (1)
Weight, g/mol:	581.277738
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	1.34
IP(EA), eV:	-8.52(2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-4-[3-[4-[(3-methyl-2-oxobutoxy)methyl]phenoxy]phenyl]-1-[2-(6-phenylpyridin-3-yl)oxyethoxy]butan-2-one

Drug info:

PubChemData

Smile

CCCCCCN(C)CCCC(C)CC

DOS

IR

Vibrations