Geometry & MOs

Info

ID:	447156
PubChem CID:	135280767
Reduced:	O15C29H36 (1)
Stoich.:	A15B29C36 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-594.09
Dipole, Da:	5.81
IP(EA), eV:	-8.86(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-aminoethoxy)-6-ethoxy-4-propan-2-yloxyphenyl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2[C@H](C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O

DOS

IR

Vibrations