Geometry & MOs

Info

ID:	359561
PubChem CID:	127298835
Reduced:	O4N5C18H21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	3.35
IP(EA), eV:	-8.93(-0.8)
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-[1-(2-methylpropyl)piperidin-4-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCC(=O)N4CCCC4

DOS

IR

Vibrations