Geometry & MOs

Info

ID:	289171
PubChem CID:	104338519
Reduced:	OCl2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	5.22
IP(EA), eV:	-8.79(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations