Geometry & MOs

Info

ID:	419880
PubChem CID:	135109573
Reduced:	FON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	338.187339
ΔH_f, kcal/mol:	-63.81
Dipole, Da:	4.56
IP(EA), eV:	-8.91(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)N2CCC3(CC2)C=C(CCO3)C)F

DOS

IR

Vibrations