Geometry & MOs

Info

ID:	210783
PubChem CID:	80854885
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	270.124739
ΔH_f, kcal/mol:	-37.54
Dipole, Da:	4.57
IP(EA), eV:	-8.57(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)C1=C(N=CN=C1NCC2(CCCO2)C)NC

DOS

IR

Vibrations