Geometry & MOs

Info

ID:	416459
PubChem CID:	135089472
Reduced:	FO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-96.88
Dipole, Da:	4.32
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)C(C2=CC=C(C=C2)F)N3CCCCC3

DOS

IR

Vibrations