Geometry & MOs

Info

ID:	420117
PubChem CID:	135111250
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-142.52
Dipole, Da:	6.21
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4)OCC1

DOS

IR

Vibrations