Geometry & MOs

Info

ID:	15451
PubChem CID:	442222
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	2.62
IP(EA), eV:	-8.27(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene

Drug info:

PubChemData

Smile

CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4

DOS

IR

Vibrations