Geometry & MOs

Info

ID:	359583
PubChem CID:	127298857
Reduced:	F2O2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-172.47
Dipole, Da:	2.37
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations