Geometry & MOs

Info

ID:	205971
PubChem CID:	80185224
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	307.100001
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	7.89
IP(EA), eV:	-9.59(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCN(CC(C)C#N)C(=O)CC(C)COC

DOS

IR

Vibrations