Geometry & MOs

Info

ID:	137892
PubChem CID:	52279758
Reduced:	FN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-175.92
Dipole, Da:	1.71
IP(EA), eV:	-9.03(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OC)F)NC(=O)NCCN2CCCCCC2=O

DOS

IR

Vibrations