Geometry & MOs

Info

ID:	343578
PubChem CID:	127266751
Reduced:	ClO2N6C15H15 (1)
Stoich.:	AB2C6D15E15 (1)
Weight, g/mol:	338.165523
ΔH_f, kcal/mol:	16.82
Dipole, Da:	6.08
IP(EA), eV:	-9.91(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-4-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1,3,5-triazine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C=N1)CCNC2=NC=NC3=C2C=CC(=N3)Cl

DOS

IR

Vibrations