Geometry & MOs

Info

ID:	3725
PubChem CID:	10073
Reduced:	NOC11H15 (2)
Stoich.:	ABC11D15 (2)
Weight, g/mol:	354.230728
ΔH_f, kcal/mol:	-78.98
Dipole, Da:	3.13
IP(EA), eV:	-8.33(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(9R,12R,19R)-12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@]12CCCN3[C@H]1C4(CC3)[C@@H](CC2)N(C5=C4C=CC=C5OC)C(=O)C

DOS

IR

Vibrations