Geometry & MOs

Info

ID:	210136
PubChem CID:	80767701
Reduced:	O2N5C13H23 (1)
Stoich.:	A2B5C13D23 (1)
Weight, g/mol:	255.148396
ΔH_f, kcal/mol:	-70.49
Dipole, Da:	1.62
IP(EA), eV:	-9.14(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)N2CCCCC2CCO)N

DOS

IR

Vibrations