Geometry & MOs

Info

ID:	209991
PubChem CID:	80748222
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	292.124801
ΔH_f, kcal/mol:	-22.7
Dipole, Da:	4.53
IP(EA), eV:	-7.89(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,5-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)NC2=CC(=C(C=C2)OC)OC)C

DOS

IR

Vibrations