Geometry & MOs

Info

ID:	2314
PubChem CID:	6756
Reduced:	NOC21H27 (1)
Stoich.:	ABC21D27 (1)
Weight, g/mol:	309.209264
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	2.66
IP(EA), eV:	-7.93(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,13R,15S,17S,18R)-17-ethyl-7-methoxy-3-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H]2C[C@@H]3[C@@H]1[C@@H](C2)C4=C(CC3)C5=C(N4)C=CC(=C5)OC

DOS

IR

Vibrations