Geometry & MOs

Info

ID:	84873
PubChem CID:	49870451
Reduced:	NO2C15H19 (2)
Stoich.:	AB2C15D19 (2)
Weight, g/mol:	340.020101
ΔH_f, kcal/mol:	-119.01
Dipole, Da:	3.88
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-prop-2-ynyl-8-(4-thiophen-3-yl-1,3-thiazol-2-yl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C#CC2(CCN(CC2)C)O)N3CC[C@](OC3=O)(CC(C)(C)O)C4=CC=CC=C4

DOS

IR

Vibrations