Geometry & MOs

Info

ID:	130619
PubChem CID:	51091759
Reduced:	O2F4N5H9C12 (1)
Stoich.:	A2B4C5D9E12 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-205.81
Dipole, Da:	6.85
IP(EA), eV:	-9.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)F)C(=O)NC2=NNC(=N2)C(F)(F)F

DOS

IR

Vibrations