Geometry & MOs

Info

ID:	417406
PubChem CID:	135093401
Reduced:	FN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-192.31
Dipole, Da:	3.6
IP(EA), eV:	-9.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)F

DOS

IR

Vibrations