Geometry & MOs

Info

ID:	359584
PubChem CID:	127298858
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-93.67
Dipole, Da:	4.98
IP(EA), eV:	-8.94(-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-[1-(3-methylpiperidin-1-yl)propan-2-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1CCCO1)C(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations