Geometry & MOs

Info

ID:	421284
PubChem CID:	135115692
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	60.08
Dipole, Da:	2.89
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)N2C=CC=N2)CC3=NOC(=N3)COC

DOS

IR

Vibrations