Geometry & MOs

Info

ID:	171795
PubChem CID:	75428175
Reduced:	O2N3F4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	323.232125
ΔH_f, kcal/mol:	-250.55
Dipole, Da:	5.55
IP(EA), eV:	-9.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)NC(=O)NC(CC2=CC=CC=C2)C(F)(F)F)F

DOS

IR

Vibrations