Geometry & MOs

Info

ID:	210097
PubChem CID:	80762354
Reduced:	FN4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	281.108816
ΔH_f, kcal/mol:	-5.34
Dipole, Da:	3.89
IP(EA), eV:	-8.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2)N)C)F

DOS

IR

Vibrations