Geometry & MOs

Info

ID:	210273
PubChem CID:	80783770
Reduced:	SN4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	248.200097
ΔH_f, kcal/mol:	12.59
Dipole, Da:	4.98
IP(EA), eV:	-8.31(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(cyclobutylmethyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC(=N1)C)N(C)C2CCSC2)C

DOS

IR

Vibrations