Geometry & MOs

Info

ID:	359553
PubChem CID:	127298827
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	7.86
IP(EA), eV:	-9.17(-0.84)
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-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4CCN(CC4)C(=O)C

DOS

IR

Vibrations