Geometry & MOs

Info

ID:	420874
PubChem CID:	135114955
Reduced:	OF3N5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-143.91
Dipole, Da:	7.77
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-thieno[3,2-d]pyrimidin-4-yl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CN=C(C=C2)C(F)(F)F

DOS

IR

Vibrations