Geometry & MOs

Info

ID:	130311
PubChem CID:	51075573
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	315.185924
ΔH_f, kcal/mol:	-121.49
Dipole, Da:	6.93
IP(EA), eV:	-9.08(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

C1CC(N(C1)CCS(=O)(=O)CCC(=O)N)CC2=CC=CC=C2

DOS

IR

Vibrations