Geometry & MOs

Info

ID:	359579
PubChem CID:	127298853
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	46.09
Dipole, Da:	5.69
IP(EA), eV:	-8.93(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5-dimethyl-N-(oxan-2-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC3=C2N=CC=C3)C(=O)N4CCCC4C5CCCC5

DOS

IR

Vibrations