Geometry & MOs

Info

ID:	422635
PubChem CID:	135118171
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	516.226037
ΔH_f, kcal/mol:	-162.86
Dipole, Da:	5.4
IP(EA), eV:	-8.98(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-benzoyl-5,6-dimethoxy-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CCCC(=O)O)O

DOS

IR

Vibrations