Geometry & MOs

Info

ID:	417818
PubChem CID:	135102818
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	1.76
IP(EA), eV:	-9.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(1-phenyltetrazol-5-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations