Geometry & MOs

Info

ID:	336084
PubChem CID:	127255091
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	420.14337
ΔH_f, kcal/mol:	10.66
Dipole, Da:	6.04
IP(EA), eV:	-8.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(N1CCC(=O)N2CCC(=CC2)C3=CNC4=CC=CC=C43)C

DOS

IR

Vibrations