Geometry & MOs

Info

ID:	211469
PubChem CID:	80953304
Reduced:	ClON4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	-41.0
Dipole, Da:	6.0
IP(EA), eV:	-9.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Cl)N(CC(=O)N)C(C)C

DOS

IR

Vibrations