Geometry & MOs

Info

ID:	210645
PubChem CID:	80833712
Reduced:	O2S2N6C11H20 (1)
Stoich.:	A2B2C6D11E20 (1)
Weight, g/mol:	221.164046
ΔH_f, kcal/mol:	-38.01
Dipole, Da:	7.64
IP(EA), eV:	-8.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylazepan-1-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1CSCCN1C2=NC(=NC(=N2)N)N(C)C

DOS

IR

Vibrations