Geometry & MOs

Info

ID:	415837
PubChem CID:	135088839
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-93.27
Dipole, Da:	5.36
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1C[C@H]([C@@H](C1)O)CC2=CC=NC3=CC=CC=C23)N4CCOCC4

DOS

IR

Vibrations