Geometry & MOs

Info

ID:	3726
PubChem CID:	10074
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	3.42
IP(EA), eV:	-9.02(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4

DOS

IR

Vibrations