Geometry & MOs

Info

ID:	306675
PubChem CID:	125165271
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-36.83
Dipole, Da:	3.66
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COCCN1CC[C@H](C1)CNC(=O)C2=CC=CC(=C2)C3=CSC=C3

DOS

IR

Vibrations