Geometry & MOs

Info

ID:	359587
PubChem CID:	127298861
Reduced:	O3N6C19H20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	10.73
Dipole, Da:	8.19
IP(EA), eV:	-8.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4=C5CCCC5=NN4C

DOS

IR

Vibrations