Geometry & MOs

Info

ID:	361536
PubChem CID:	127303728
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	22.0
Dipole, Da:	5.11
IP(EA), eV:	-8.96(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)C3=CC=C(C=C3)OC4=NC=C(C=C4)C#N

DOS

IR

Vibrations