Geometry & MOs

Info

ID:	172551
PubChem CID:	75524411
Reduced:	FON5C26H28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	395.175753
ΔH_f, kcal/mol:	2.46
Dipole, Da:	6.91
IP(EA), eV:	-9.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-2-oxoethyl)-N-(2-fluoro-5-methylphenyl)-N-[1-(4-methylphenyl)ethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)N(C2=C(C=CC(=C2)C)F)C(=O)CCC3=C(N4C(=NC=N4)N=C3C)C

DOS

IR

Vibrations