Geometry & MOs

Info

ID:	419709
PubChem CID:	135108759
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	20.49
Dipole, Da:	4.69
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)C#N)C

DOS

IR

Vibrations