Geometry & MOs

Info

ID:	210277
PubChem CID:	80784267
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	-1.26
Dipole, Da:	8.3
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(cyclobutylmethyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C=C1)[N+](=O)[O-])NCC2CCC2

DOS

IR

Vibrations