Geometry & MOs

Info

ID:

128581

PubChem CID:

51051236

Reduced:

ClNOC11H16 (2)

Stoich.:

ABCD11E16 (2)

Weight, g/mol:

515.230788

ΔHf, kcal/mol:

-156.26

Dipole, Da:

4.48

IP(EA), eV:

 -9.72(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 19-methoxy-20-phenylmethoxy-5,7-dioxa-14-azapentacyclo[11.7.1.02,10.04,8.017,21]henicosa-1(21),2,4(8),9,17,19-hexaene-14-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=NC(=C2CN)CC(C)(C)C)C(C)C)C(=O)O.Cl.Cl

DOS

IR

Vibrations