Geometry & MOs

Info

ID:	395028
PubChem CID:	135024465
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-149.74
Dipole, Da:	7.59
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,9S)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione

Drug info:

PubChemData

Smile

CC(=C[C@H]1C2=C(C3=C(N2)C=C(C=C3)OC)C(=O)[C@@]4(N1C(=O)[C@@H]5CCCN5C4=O)O)C

DOS

IR

Vibrations