Geometry & MOs

Info

ID:	289220
PubChem CID:	104340898
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	12.27
Dipole, Da:	4.02
IP(EA), eV:	-9.0(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C3=NC(=NC(=C3)N)COC)SC=C2

DOS

IR

Vibrations