Geometry & MOs

Info

ID:	51327
PubChem CID:	12013974
Reduced:	NO3C30H35 (1)
Stoich.:	AB3C30D35 (1)
Weight, g/mol:	307.157229
ΔH_f, kcal/mol:	-21.69
Dipole, Da:	2.73
IP(EA), eV:	-8.79(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7R)-4-morpholin-4-yl-5-phenyltricyclo[5.2.1.02,6]deca-4,8-dien-3-one

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H]1[C@@H]3[C@H]2C(=O)C(=C3)N4[C@@H](CC[C@H]4COCC5=CC=CC=C5)COCC6=CC=CC=C6

DOS

IR

Vibrations