Geometry & MOs

Info

ID:	205520
PubChem CID:	80115581
Reduced:	F2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	-133.55
Dipole, Da:	1.61
IP(EA), eV:	-8.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CC2=C(C(=CC=C2)F)F)N

DOS

IR

Vibrations