Geometry & MOs

Info

ID:	264419
PubChem CID:	103460170
Reduced:	ClN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	3.28
IP(EA), eV:	-8.1(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,2-dimethylbutyl)-6-methoxypyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

CCC(C)(C)CNC1=C(C=C(C=C1)Cl)N

DOS

IR

Vibrations