Geometry & MOs

Info

ID:	418149
PubChem CID:	135103680
Reduced:	ClO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	329.196408
ΔH_f, kcal/mol:	-88.79
Dipole, Da:	4.48
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-aminocyclobutyl)-N-[(2-aminopyrimidin-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations