Geometry & MOs

Info

ID:	289173
PubChem CID:	104338570
Reduced:	OF2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	322.04292
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	5.11
IP(EA), eV:	-8.87(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-bromophenyl)-2-(ethoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations