Geometry & MOs

Info

ID:	222642
PubChem CID:	85306349
Reduced:	NPO3C28H34 (1)
Stoich.:	ABC3D28E34 (1)
Weight, g/mol:	471.262088
ΔH_f, kcal/mol:	-110.23
Dipole, Da:	3.74
IP(EA), eV:	-8.97(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,2-dimethyl-2-[2-(3-methyl-6-phenylmethoxycarbonyl-8-oxa-6-azabicyclo[3.2.1]octan-5-yl)ethyl]-3-oxocyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C(C)NC(C)C1=CC=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations