Geometry & MOs

Info

ID:	416479
PubChem CID:	135089494
Reduced:	FN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	359.206973
ΔH_f, kcal/mol:	-154.44
Dipole, Da:	3.26
IP(EA), eV:	-9.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-[(1-ethylimidazol-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(5-methyl-2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations