Geometry & MOs

Info

ID:	210351
PubChem CID:	80795330
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-21.28
Dipole, Da:	5.04
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-(oxolan-2-ylmethyl)-5-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1N(C)CC2CCCO2)N

DOS

IR

Vibrations