Geometry & MOs

Info

ID:	345705
PubChem CID:	127270005
Reduced:	O3N6C19H24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	5.27
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)CN3C(=O)C4(CCCC4)NC3=O

DOS

IR

Vibrations