Geometry & MOs

Info

ID:	322032
PubChem CID:	126668343
Reduced:	O4C7H11 (2)
Stoich.:	A4B7C11 (2)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	-364.86
Dipole, Da:	1.32
IP(EA), eV:	-10.28(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-yl)-N-[3-[3-(methylamino)propyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)OC(=O)OC1COC2C1OCC2OC(=O)OC(C)C

DOS

IR

Vibrations