Geometry & MOs

Info

ID:	359552
PubChem CID:	127298826
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	385.175004
ΔH_f, kcal/mol:	-58.47
Dipole, Da:	5.41
IP(EA), eV:	-8.59(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations