Geometry & MOs

Info

ID:	359598
PubChem CID:	127298872
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	4.8
IP(EA), eV:	-9.11(-0.76)
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-(oxolan-2-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC(C)CC4CCCO4

DOS

IR

Vibrations