Geometry & MOs

Info

ID:	170126
PubChem CID:	75200458
Reduced:	ClN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	374.175419
ΔH_f, kcal/mol:	-57.3
Dipole, Da:	4.94
IP(EA), eV:	-9.56(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2C=CC=NC2=O)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations