Geometry & MOs

Info

ID:	305518
PubChem CID:	124958309
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-25.99
Dipole, Da:	1.78
IP(EA), eV:	-9.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)[C@@H]2COCCN2C(=O)C3=C(N=C(S3)C)C

DOS

IR

Vibrations