Geometry & MOs

Info

ID:	302356
PubChem CID:	124361385
Reduced:	NPO3C16H32 (1)
Stoich.:	ABC3D16E32 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-233.81
Dipole, Da:	2.94
IP(EA), eV:	-8.23(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCO[P@@](=O)(C)OC[C@@H]1CCCN2[C@H]1CCCC2

DOS

IR

Vibrations