Geometry & MOs

Info

ID:	361538
PubChem CID:	127303730
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	-27.58
Dipole, Da:	5.15
IP(EA), eV:	-9.85(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NCC3=NN=CN3C4CC4

DOS

IR

Vibrations