Geometry & MOs

Info

ID:	70241
PubChem CID:	48409691
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	412.185903
ΔH_f, kcal/mol:	-51.77
Dipole, Da:	5.53
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NC(=CS2)CC(=O)NCC3=C(N(N=C3C)CCOC)C

DOS

IR

Vibrations