Geometry & MOs

Info

ID:	417074
PubChem CID:	135091253
Reduced:	F2O2N3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	297.135638
ΔH_f, kcal/mol:	-147.44
Dipole, Da:	7.23
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-methyl-6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations