Geometry & MOs

Info

ID:	359571
PubChem CID:	127298845
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-57.27
Dipole, Da:	3.36
IP(EA), eV:	-8.62(-0.69)
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-(3-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1CCNC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations