Geometry & MOs

Info

ID:	446139
PubChem CID:	135272681
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	375.160772
ΔH_f, kcal/mol:	-4.03
Dipole, Da:	5.37
IP(EA), eV:	-8.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(6-ethylpyridin-2-yl)methyl]triazol-4-yl]-6-(2-fluorophenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=C(ON=C3C)C

DOS

IR

Vibrations