Geometry & MOs

Info

ID:	423226
PubChem CID:	135119140
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-111.06
Dipole, Da:	5.17
IP(EA), eV:	-9.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)N2CC[C@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations