Geometry & MOs

Info

ID:	445311
PubChem CID:	135266047
Reduced:	N6O17C90H158 (1)
Stoich.:	A6B17C90D158 (1)
Weight, g/mol:	336.157288
ΔH_f, kcal/mol:	-853.81
Dipole, Da:	3.12
IP(EA), eV:	-8.98(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3,4-bis(3-methoxy-3-oxopropyl)phenyl]propanoate

Drug info:

Smile

CCCCC(CCCC1=CC(=C(C=C1)CCCC(CCCC)(C(=O)OC2CC(N(C(C2)(C)C)O)(C)C)C(=O)OC3CC(N(C(C3)(C)C)O)(C)C)CCCC(CCCC)(C(=O)OC4CC(N(C(C4)(C)C)O)(C)C)C(=O)OC5CC(N(C(C5)(C)C)O)(C)C)(COC6CC(N(C(C6)(C)C)O)(C)C)C(=O)OC7CC(N(C(C7)(C)C)O)(C)C

DOS

IR

Vibrations