Geometry & MOs

Info

ID:	368832
PubChem CID:	127330652
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	390.157102
ΔH_f, kcal/mol:	-19.22
Dipole, Da:	3.79
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=NC=N2)N3CCCC3C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations