Geometry & MOs

Info

ID:	179101
PubChem CID:	76433562
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	318.13036
ΔH_f, kcal/mol:	-17.17
Dipole, Da:	4.96
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-7-(4,4,4-trifluorobutanoyl)-4a,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1CC(NN1)C2=CC(=NC(=C2C#N)N)C3=C(C(=C(N3)C)C(=O)O)C

DOS

IR

Vibrations