Geometry & MOs

Info

ID:	423644
PubChem CID:	135119891
Reduced:	N5O5C25H33 (1)
Stoich.:	A5B5C25D33 (1)
Weight, g/mol:	344.159689
ΔH_f, kcal/mol:	-139.06
Dipole, Da:	8.96
IP(EA), eV:	-9.04(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(1-phenyltetrazol-5-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCC3CC4(CCN(CC4)C(=O)CCCC5=CN(CCO2)N=N5)CO3

DOS

IR

Vibrations