Geometry & MOs

Info

ID:	417768
PubChem CID:	135102679
Reduced:	ClO3N4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-127.43
Dipole, Da:	6.13
IP(EA), eV:	-9.17(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)C2=NC(=NC(=C2Cl)C)N)C(=O)O

DOS

IR

Vibrations