Geometry & MOs

Info

ID:	289169
PubChem CID:	104338359
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	284.088495
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	4.11
IP(EA), eV:	-8.56(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COCC)NC2=CC=CC=C2C

DOS

IR

Vibrations