Geometry & MOs

Info

ID:	422402
PubChem CID:	135117776
Reduced:	FO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	7.9
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations