Geometry & MOs

Info

ID:	155690
PubChem CID:	56366921
Reduced:	O2N3C10H10 (2)
Stoich.:	A2B3C10D10 (2)
Weight, g/mol:	433.120861
ΔH_f, kcal/mol:	-10.19
Dipole, Da:	6.65
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC(=O)NC3=CN=CC=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations