Geometry & MOs

Info

ID:	359586
PubChem CID:	127298860
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	380.159689
ΔH_f, kcal/mol:	-17.68
Dipole, Da:	5.31
IP(EA), eV:	-9.08(-0.75)
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-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)N(C)C4CC5=CC=CC=C5C4

DOS

IR

Vibrations