Geometry & MOs

Info

ID:	404505
PubChem CID:	135066565
Reduced:	O6C23H28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	455.220892
ΔH_f, kcal/mol:	-139.69
Dipole, Da:	3.75
IP(EA), eV:	-9.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,8S,9R)-10-benzyl-9-[4-(dimethylamino)phenyl]-5-phenyl-3,11-dioxa-6,10-diazatricyclo[6.2.1.01,6]undecan-7-one

Drug info:

PubChemData

Smile

CCC/C=C/1\[C@@H]([C@@]2(CCC(=O)[C@]1(O2)C(=O)OCC)C)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations