Geometry & MOs

Info

ID:	343785
PubChem CID:	127266961
Reduced:	OF2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	348.196154
ΔH_f, kcal/mol:	-78.47
Dipole, Da:	5.79
IP(EA), eV:	-8.7(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[1-[(4-fluoro-3-methylphenyl)methylamino]-3-methylbutyl]-1H-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(=C(F)F)CC3

DOS

IR

Vibrations