Geometry & MOs

Info

ID:	50818
PubChem CID:	12013407
Reduced:	N3O4H23C25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	484.247441
ΔH_f, kcal/mol:	-38.21
Dipole, Da:	9.52
IP(EA), eV:	-8.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,9-diethoxy-10b-methyl-1-(4-methylphenyl)-N-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CCN3C2=CC(=C(C3=N)C#N)C4=CC5=C(C=C4)OCO5)OCC

DOS

IR

Vibrations