Geometry & MOs

Info

ID:	359559
PubChem CID:	127298833
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	5.01
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations