Geometry & MOs

Info

ID:	155934
PubChem CID:	56368365
Reduced:	BrON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	409.15616
ΔH_f, kcal/mol:	-3.0
Dipole, Da:	2.33
IP(EA), eV:	-8.24(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CC3=C(C=C2)NC(=C3C)C)Br

DOS

IR

Vibrations