Geometry & MOs

Info

ID:	439371
PubChem CID:	135229144
Reduced:	ClO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	207.173548
ΔH_f, kcal/mol:	-62.45
Dipole, Da:	3.51
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-heptan-4-yl-6-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC[C@@H](CCO)NC1=CC(=NC(=N1)C)O[C@@H]2CCC3=C(C=CN=C23)Cl

DOS

IR

Vibrations