Geometry & MOs

Info

ID:	289239
PubChem CID:	104341371
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	6.69
Dipole, Da:	4.21
IP(EA), eV:	-8.92(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,4-dihydro-2H-chromen-4-yl)-2-(methoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)NCC2=CC=CC(=N2)C)N

DOS

IR

Vibrations