Geometry & MOs

Info

ID:	368464
PubChem CID:	127328749
Reduced:	OF3N5C16H24 (1)
Stoich.:	AB3C5D16E24 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-201.8
Dipole, Da:	7.58
IP(EA), eV:	-9.43(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)NC3CCCC(C3)C(F)(F)F

DOS

IR

Vibrations