Geometry & MOs

Info

ID:	403925
PubChem CID:	135062570
Reduced:	BO4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	476.303893
ΔH_f, kcal/mol:	-292.89
Dipole, Da:	3.95
IP(EA), eV:	-10.25(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,7S,8S,9S,12S,13R,16S)-6-(3-methoxyphenyl)-7,9,13-trimethyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,18-dien-16-yl] acetate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)[C@H](C)[C@@H](C)C(=O)OCC

DOS

IR

Vibrations