Geometry & MOs

Info

ID:	414470
PubChem CID:	135087428
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	3.76
IP(EA), eV:	-9.06(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[3-(2,4-dimethylphenyl)propanoyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN(C)[C@H]1CN(C[C@@H]1O)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations