Geometry & MOs

Info

ID:	127908
PubChem CID:	51022654
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	571.24685
ΔH_f, kcal/mol:	-82.01
Dipole, Da:	5.49
IP(EA), eV:	-9.96(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-4-bromo-1-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]-4-(4-methoxy-1-bicyclo[2.2.2]octanyl)benzamide

Drug info:

PubChemData

Smile

C/C(=C\CC[C@@]1([C@@H]2CC[C@@H](C2)C1=C)C)/C(=O)O

DOS

IR

Vibrations