Geometry & MOs

Info

ID:	417109
PubChem CID:	135091389
Reduced:	FON5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	7.31
IP(EA), eV:	-8.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=NC(=N1)CCNC3=NC=C(C(=N3)OC)F

DOS

IR

Vibrations