Geometry & MOs

Info

ID:	26499
PubChem CID:	650466
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	359.138225
ΔH_f, kcal/mol:	-101.51
Dipole, Da:	5.31
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)C)N(C1=O)C

DOS

IR

Vibrations