Geometry & MOs

Info

ID:	417545
PubChem CID:	135101245
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-157.49
Dipole, Da:	7.26
IP(EA), eV:	-8.97(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CN1CCCN(CC1)CC(=O)N2CC[C@@H]([C@@](C2)(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations