Geometry & MOs

Info

ID:	75892
PubChem CID:	48424123
Reduced:	FNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	3.06
IP(EA), eV:	-9.3(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)anilino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC(COC1=CC=CC=C1F)C2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations