Geometry & MOs

Info

ID:	418722
PubChem CID:	135106643
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	-133.36
Dipole, Da:	9.63
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(3,4-dihydro-2H-chromene-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CNC4=C(C3=O)C=C(C=C4)OC)CO

DOS

IR

Vibrations