Geometry & MOs

Info

ID:	242464
PubChem CID:	96100262
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-54.52
Dipole, Da:	4.69
IP(EA), eV:	-9.27(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclobutyloxyphenyl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@@H]2CN(CCO2)C(=O)C3=CC(=O)N(C=C3)C

DOS

IR

Vibrations