Geometry & MOs

Info

ID:	210407
PubChem CID:	80802686
Reduced:	O3N6C10H16 (1)
Stoich.:	A3B6C10D16 (1)
Weight, g/mol:	293.145202
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	5.6
IP(EA), eV:	-9.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(3,5-difluorophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)NC(C)C(=O)NC)[N+](=O)[O-]

DOS

IR

Vibrations