Geometry & MOs

Info

ID:	415759
PubChem CID:	135088759
Reduced:	FO3N5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	375.22704
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	5.86
IP(EA), eV:	-9.14(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1S,5S)-7-[(1-ethylimidazol-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NNC(=C1)CNC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations