Geometry & MOs

Info

ID:	352477
PubChem CID:	127283565
Reduced:	ON8C19H22 (1)
Stoich.:	AB8C19D22 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	86.69
Dipole, Da:	8.61
IP(EA), eV:	-9.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations