Geometry & MOs

Info

ID:	60821
PubChem CID:	26702485
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	406.121195
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	9.98
IP(EA), eV:	-9.6(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC(=O)/C=C/C2=CN(N=N2)CC3=CC=CC=C3

DOS

IR

Vibrations